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) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new_1-8b9ad90f/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 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 218 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 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new_1-8b9ad90f/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 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 218 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 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new_1-8b9ad90f/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 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 218 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 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new_1-8b9ad90f/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 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 218 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 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new_1-8b9ad90f/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 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 218 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 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new_1-8b9ad90f/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 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 218 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 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new_1-8b9ad90f/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 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 218 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 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new_1-8b9ad90f/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 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 218 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 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new_1-8b9ad90f/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 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 218 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 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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) reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq3_new_1-8b9ad90f/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 218 residues chain 'A' looks like RNA but there are extra P atom at position: 218 chain 'A' looks like RNA but there are extra C4' or C4* atom at position: 218 chain 'A' is classfied as RNA number of RNA chain(s) to be parsed: 1 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 218 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 DONE x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 1095 n_atoms_counter: 1095 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 218.000000 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: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 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: 1 Temperature: 0.950000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1399.625996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.625996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.625996 (E_RNA) where: Base-Base interactions energy: -965.098 where: short stacking energy: -485.864 Base-Backbone interact. energy: 14.993 local terms energy: -449.521154 where: bonds (distance) C4'-P energy: -139.911 bonds (distance) P-C4' energy: 2.109 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -159.849 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -2298.512488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.512488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.512488 (E_RNA) where: Base-Base interactions energy: -1584.815 where: short stacking energy: -706.292 Base-Backbone interact. energy: -1.706 local terms energy: -711.991415 where: bonds (distance) C4'-P energy: -125.625 bonds (distance) P-C4' energy: -134.212 flat angles C4'-P-C4' energy: -150.648 flat angles P-C4'-P energy: -96.492 tors. eta vs tors. theta energy: -205.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -2194.541822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.541822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.541822 (E_RNA) where: Base-Base interactions energy: -1510.903 where: short stacking energy: -658.510 Base-Backbone interact. energy: -2.075 local terms energy: -681.564283 where: bonds (distance) C4'-P energy: -131.081 bonds (distance) P-C4' energy: -129.583 flat angles C4'-P-C4' energy: -143.318 flat angles P-C4'-P energy: -90.987 tors. eta vs tors. theta energy: -186.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -2173.813028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.813028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.813028 (E_RNA) where: Base-Base interactions energy: -1490.622 where: short stacking energy: -646.338 Base-Backbone interact. energy: -3.037 local terms energy: -680.153471 where: bonds (distance) C4'-P energy: -137.227 bonds (distance) P-C4' energy: -134.919 flat angles C4'-P-C4' energy: -150.045 flat angles P-C4'-P energy: -92.171 tors. eta vs tors. theta energy: -165.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -2069.397631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.397631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.397631 (E_RNA) where: Base-Base interactions energy: -1427.740 where: short stacking energy: -624.357 Base-Backbone interact. energy: -1.750 local terms energy: -639.907362 where: bonds (distance) C4'-P energy: -118.886 bonds (distance) P-C4' energy: -118.479 flat angles C4'-P-C4' energy: -128.099 flat angles P-C4'-P energy: -101.462 tors. eta vs tors. theta energy: -172.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1972.834830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.834830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.834830 (E_RNA) where: Base-Base interactions energy: -1365.689 where: short stacking energy: -604.617 Base-Backbone interact. energy: -2.415 local terms energy: -604.730889 where: bonds (distance) C4'-P energy: -124.513 bonds (distance) P-C4' energy: -98.945 flat angles C4'-P-C4' energy: -137.935 flat angles P-C4'-P energy: -84.709 tors. eta vs tors. theta energy: -158.629 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: 2 Temperature: 1.150000 Total energy: -1923.397248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.397248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.397248 (E_RNA) where: Base-Base interactions energy: -1313.670 where: short stacking energy: -579.989 Base-Backbone interact. energy: -0.856 local terms energy: -608.870873 where: bonds (distance) C4'-P energy: -119.932 bonds (distance) P-C4' energy: -116.336 flat angles C4'-P-C4' energy: -130.586 flat angles P-C4'-P energy: -83.658 tors. eta vs tors. theta energy: -158.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1751.527649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.527649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.527649 (E_RNA) where: Base-Base interactions energy: -1194.414 where: short stacking energy: -530.203 Base-Backbone interact. energy: 0.782 local terms energy: -557.895794 where: bonds (distance) C4'-P energy: -94.822 bonds (distance) P-C4' energy: -115.210 flat angles C4'-P-C4' energy: -112.117 flat angles P-C4'-P energy: -91.312 tors. eta vs tors. theta energy: -144.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1742.172852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.172852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.172852 (E_RNA) where: Base-Base interactions energy: -1189.675 where: short stacking energy: -533.485 Base-Backbone interact. energy: -2.530 local terms energy: -549.967530 where: bonds (distance) C4'-P energy: -112.410 bonds (distance) P-C4' energy: -94.263 flat angles C4'-P-C4' energy: -120.595 flat angles P-C4'-P energy: -75.285 tors. eta vs tors. theta energy: -147.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1612.137987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.137987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.137987 (E_RNA) where: Base-Base interactions energy: -1068.952 where: short stacking energy: -496.468 Base-Backbone interact. energy: -3.404 local terms energy: -539.782724 where: bonds (distance) C4'-P energy: -107.328 bonds (distance) P-C4' energy: -95.049 flat angles C4'-P-C4' energy: -126.820 flat angles P-C4'-P energy: -51.915 tors. eta vs tors. theta energy: -158.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1602.843400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.843400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.843400 (E_RNA) where: Base-Base interactions energy: -1025.507 where: short stacking energy: -489.924 Base-Backbone interact. energy: 12.513 local terms energy: -589.849127 where: bonds (distance) C4'-P energy: -120.207 bonds (distance) P-C4' energy: -120.585 flat angles C4'-P-C4' energy: -131.444 flat angles P-C4'-P energy: -64.112 tors. eta vs tors. theta energy: -153.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -2366.754872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.754872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.754872 (E_RNA) where: Base-Base interactions energy: -1612.324 where: short stacking energy: -730.935 Base-Backbone interact. energy: -3.917 local terms energy: -750.513934 where: bonds (distance) C4'-P energy: -133.290 bonds (distance) P-C4' energy: -135.233 flat angles C4'-P-C4' energy: -159.125 flat angles P-C4'-P energy: -107.297 tors. eta vs tors. theta energy: -215.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -2205.170059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.170059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.170059 (E_RNA) where: Base-Base interactions energy: -1513.418 where: short stacking energy: -666.162 Base-Backbone interact. energy: -3.051 local terms energy: -688.701320 where: bonds (distance) C4'-P energy: -120.527 bonds (distance) P-C4' energy: -128.432 flat angles C4'-P-C4' energy: -145.745 flat angles P-C4'-P energy: -101.400 tors. eta vs tors. theta energy: -192.598 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: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -2198.549928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.549928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.549928 (E_RNA) where: Base-Base interactions energy: -1524.677 where: short stacking energy: -671.308 Base-Backbone interact. energy: -3.797 local terms energy: -670.075168 where: bonds (distance) C4'-P energy: -118.994 bonds (distance) P-C4' energy: -122.825 flat angles C4'-P-C4' energy: -132.590 flat angles P-C4'-P energy: -95.067 tors. eta vs tors. theta energy: -200.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -2139.354689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.354689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.354689 (E_RNA) where: Base-Base interactions energy: -1494.539 where: short stacking energy: -633.779 Base-Backbone interact. energy: -3.678 local terms energy: -641.138005 where: bonds (distance) C4'-P energy: -119.283 bonds (distance) P-C4' energy: -109.927 flat angles C4'-P-C4' energy: -150.843 flat angles P-C4'-P energy: -83.819 tors. eta vs tors. theta energy: -177.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -2098.425066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.425066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.425066 (E_RNA) where: Base-Base interactions energy: -1458.516 where: short stacking energy: -623.488 Base-Backbone interact. energy: -0.720 local terms energy: -639.188922 where: bonds (distance) C4'-P energy: -102.423 bonds (distance) P-C4' energy: -123.593 flat angles C4'-P-C4' energy: -147.111 flat angles P-C4'-P energy: -90.367 tors. eta vs tors. theta energy: -175.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -1970.832842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.832842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.832842 (E_RNA) where: Base-Base interactions energy: -1371.287 where: short stacking energy: -596.401 Base-Backbone interact. energy: -3.700 local terms energy: -595.845819 where: bonds (distance) C4'-P energy: -123.583 bonds (distance) P-C4' energy: -115.270 flat angles C4'-P-C4' energy: -126.674 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: -154.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -1789.331466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.331466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.331466 (E_RNA) where: Base-Base interactions energy: -1221.220 where: short stacking energy: -510.205 Base-Backbone interact. energy: -0.643 local terms energy: -567.469162 where: bonds (distance) C4'-P energy: -99.664 bonds (distance) P-C4' energy: -122.087 flat angles C4'-P-C4' energy: -136.879 flat angles P-C4'-P energy: -72.017 tors. eta vs tors. theta energy: -136.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -1606.919735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.919735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.919735 (E_RNA) where: Base-Base interactions energy: -1082.970 where: short stacking energy: -454.892 Base-Backbone interact. energy: 1.136 local terms energy: -525.085903 where: bonds (distance) C4'-P energy: -105.387 bonds (distance) P-C4' energy: -122.881 flat angles C4'-P-C4' energy: -103.250 flat angles P-C4'-P energy: -83.675 tors. eta vs tors. theta energy: -109.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -1360.186561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.186561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.186561 (E_RNA) where: Base-Base interactions energy: -921.976 where: short stacking energy: -411.120 Base-Backbone interact. energy: -1.956 local terms energy: -436.255012 where: bonds (distance) C4'-P energy: -105.186 bonds (distance) P-C4' energy: -99.515 flat angles C4'-P-C4' energy: -99.231 flat angles P-C4'-P energy: -39.529 tors. eta vs tors. theta energy: -92.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -1324.096639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.096639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.096639 (E_RNA) where: Base-Base interactions energy: -854.803 where: short stacking energy: -372.740 Base-Backbone interact. energy: -2.145 local terms energy: -467.149311 where: bonds (distance) C4'-P energy: -106.850 bonds (distance) P-C4' energy: -127.821 flat angles C4'-P-C4' energy: -111.226 flat angles P-C4'-P energy: -52.499 tors. eta vs tors. theta energy: -68.752 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: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -2386.419980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.419980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.419980 (E_RNA) where: Base-Base interactions energy: -1638.863 where: short stacking energy: -716.834 Base-Backbone interact. energy: -2.279 local terms energy: -745.278507 where: bonds (distance) C4'-P energy: -128.050 bonds (distance) P-C4' energy: -126.345 flat angles C4'-P-C4' energy: -161.811 flat angles P-C4'-P energy: -107.894 tors. eta vs tors. theta energy: -221.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -2227.654052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.654052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.654052 (E_RNA) where: Base-Base interactions energy: -1535.678 where: short stacking energy: -698.421 Base-Backbone interact. energy: -0.700 local terms energy: -691.276011 where: bonds (distance) C4'-P energy: -126.727 bonds (distance) P-C4' energy: -125.866 flat angles C4'-P-C4' energy: -148.620 flat angles P-C4'-P energy: -95.616 tors. eta vs tors. theta energy: -194.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -2249.908451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.908451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.908451 (E_RNA) where: Base-Base interactions energy: -1568.360 where: short stacking energy: -681.892 Base-Backbone interact. energy: -0.559 local terms energy: -680.989374 where: bonds (distance) C4'-P energy: -129.115 bonds (distance) P-C4' energy: -123.399 flat angles C4'-P-C4' energy: -147.090 flat angles P-C4'-P energy: -82.214 tors. eta vs tors. theta energy: -199.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -2125.421264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.421264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.421264 (E_RNA) where: Base-Base interactions energy: -1491.320 where: short stacking energy: -593.742 Base-Backbone interact. energy: 0.425 local terms energy: -634.525880 where: bonds (distance) C4'-P energy: -118.816 bonds (distance) P-C4' energy: -115.637 flat angles C4'-P-C4' energy: -138.230 flat angles P-C4'-P energy: -87.001 tors. eta vs tors. theta energy: -174.841 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: 4 Temperature: 1.100000 Total energy: -2092.063499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.063499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.063499 (E_RNA) where: Base-Base interactions energy: -1454.313 where: short stacking energy: -625.614 Base-Backbone interact. energy: -1.098 local terms energy: -636.651944 where: bonds (distance) C4'-P energy: -116.600 bonds (distance) P-C4' energy: -126.914 flat angles C4'-P-C4' energy: -139.814 flat angles P-C4'-P energy: -82.902 tors. eta vs tors. theta energy: -170.422 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: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -1931.153577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.153577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.153577 (E_RNA) where: Base-Base interactions energy: -1341.527 where: short stacking energy: -559.361 Base-Backbone interact. energy: -2.284 local terms energy: -587.343284 where: bonds (distance) C4'-P energy: -96.571 bonds (distance) P-C4' energy: -130.042 flat angles C4'-P-C4' energy: -110.390 flat angles P-C4'-P energy: -92.003 tors. eta vs tors. theta energy: -158.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -1716.327481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.327481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.327481 (E_RNA) where: Base-Base interactions energy: -1187.747 where: short stacking energy: -491.456 Base-Backbone interact. energy: -3.114 local terms energy: -525.465813 where: bonds (distance) C4'-P energy: -109.250 bonds (distance) P-C4' energy: -97.093 flat angles C4'-P-C4' energy: -117.052 flat angles P-C4'-P energy: -75.623 tors. eta vs tors. theta energy: -126.448 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: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -1638.131115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.131115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.131115 (E_RNA) where: Base-Base interactions energy: -1132.120 where: short stacking energy: -505.860 Base-Backbone interact. energy: 1.396 local terms energy: -507.407306 where: bonds (distance) C4'-P energy: -74.956 bonds (distance) P-C4' energy: -101.373 flat angles C4'-P-C4' energy: -142.874 flat angles P-C4'-P energy: -61.955 tors. eta vs tors. theta energy: -126.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -1366.743370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.743370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.743370 (E_RNA) where: Base-Base interactions energy: -884.131 where: short stacking energy: -401.642 Base-Backbone interact. energy: -2.407 local terms energy: -480.205920 where: bonds (distance) C4'-P energy: -112.877 bonds (distance) P-C4' energy: -82.590 flat angles C4'-P-C4' energy: -123.704 flat angles P-C4'-P energy: -73.071 tors. eta vs tors. theta energy: -87.964 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: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -1248.961173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.961173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.961173 (E_RNA) where: Base-Base interactions energy: -797.912 where: short stacking energy: -364.729 Base-Backbone interact. energy: -1.529 local terms energy: -449.519937 where: bonds (distance) C4'-P energy: -86.097 bonds (distance) P-C4' energy: -120.097 flat angles C4'-P-C4' energy: -116.202 flat angles P-C4'-P energy: -60.604 tors. eta vs tors. theta energy: -66.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -2437.797641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.797641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.797641 (E_RNA) where: Base-Base interactions energy: -1688.304 where: short stacking energy: -743.247 Base-Backbone interact. energy: 0.026 local terms energy: -749.519543 where: bonds (distance) C4'-P energy: -132.697 bonds (distance) P-C4' energy: -129.277 flat angles C4'-P-C4' energy: -155.633 flat angles P-C4'-P energy: -99.617 tors. eta vs tors. theta energy: -232.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -2312.367392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.367392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.367392 (E_RNA) where: Base-Base interactions energy: -1608.602 where: short stacking energy: -679.966 Base-Backbone interact. energy: -2.395 local terms energy: -701.370099 where: bonds (distance) C4'-P energy: -132.254 bonds (distance) P-C4' energy: -125.749 flat angles C4'-P-C4' energy: -154.261 flat angles P-C4'-P energy: -97.088 tors. eta vs tors. theta energy: -192.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -2271.439501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.439501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.439501 (E_RNA) where: Base-Base interactions energy: -1583.558 where: short stacking energy: -684.932 Base-Backbone interact. energy: -3.143 local terms energy: -684.738355 where: bonds (distance) C4'-P energy: -136.590 bonds (distance) P-C4' energy: -125.727 flat angles C4'-P-C4' energy: -148.431 flat angles P-C4'-P energy: -83.597 tors. eta vs tors. theta energy: -190.394 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: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -2229.072953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.072953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.072953 (E_RNA) where: Base-Base interactions energy: -1561.579 where: short stacking energy: -673.895 Base-Backbone interact. energy: -3.712 local terms energy: -663.781753 where: bonds (distance) C4'-P energy: -106.562 bonds (distance) P-C4' energy: -136.343 flat angles C4'-P-C4' energy: -144.553 flat angles P-C4'-P energy: -85.175 tors. eta vs tors. theta energy: -191.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -2072.634846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.634846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.634846 (E_RNA) where: Base-Base interactions energy: -1429.080 where: short stacking energy: -600.976 Base-Backbone interact. energy: -1.437 local terms energy: -642.117612 where: bonds (distance) C4'-P energy: -132.188 bonds (distance) P-C4' energy: -110.210 flat angles C4'-P-C4' energy: -142.239 flat angles P-C4'-P energy: -77.062 tors. eta vs tors. theta energy: -180.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1895.655707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.655707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.655707 (E_RNA) where: Base-Base interactions energy: -1319.025 where: short stacking energy: -560.987 Base-Backbone interact. energy: -2.780 local terms energy: -573.850434 where: bonds (distance) C4'-P energy: -109.986 bonds (distance) P-C4' energy: -101.251 flat angles C4'-P-C4' energy: -128.382 flat angles P-C4'-P energy: -73.812 tors. eta vs tors. theta energy: -160.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -1731.090273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.090273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.090273 (E_RNA) where: Base-Base interactions energy: -1174.175 where: short stacking energy: -509.483 Base-Backbone interact. energy: -2.101 local terms energy: -554.814029 where: bonds (distance) C4'-P energy: -119.228 bonds (distance) P-C4' energy: -114.683 flat angles C4'-P-C4' energy: -114.450 flat angles P-C4'-P energy: -82.374 tors. eta vs tors. theta energy: -124.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -1553.851594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.851594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.851594 (E_RNA) where: Base-Base interactions energy: -1045.409 where: short stacking energy: -467.774 Base-Backbone interact. energy: -0.057 local terms energy: -508.385290 where: bonds (distance) C4'-P energy: -93.444 bonds (distance) P-C4' energy: -114.497 flat angles C4'-P-C4' energy: -119.762 flat angles P-C4'-P energy: -61.218 tors. eta vs tors. theta energy: -119.463 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: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -1396.011153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.011153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.011153 (E_RNA) where: Base-Base interactions energy: -938.900 where: short stacking energy: -392.373 Base-Backbone interact. energy: -0.373 local terms energy: -456.737910 where: bonds (distance) C4'-P energy: -92.577 bonds (distance) P-C4' energy: -104.731 flat angles C4'-P-C4' energy: -109.675 flat angles P-C4'-P energy: -62.458 tors. eta vs tors. theta energy: -87.297 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: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -1201.429077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.429077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.429077 (E_RNA) where: Base-Base interactions energy: -776.450 where: short stacking energy: -364.260 Base-Backbone interact. energy: 1.162 local terms energy: -426.140563 where: bonds (distance) C4'-P energy: -72.910 bonds (distance) P-C4' energy: -86.292 flat angles C4'-P-C4' energy: -127.633 flat angles P-C4'-P energy: -72.142 tors. eta vs tors. theta energy: -67.164 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -2474.958964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.958964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.958964 (E_RNA) where: Base-Base interactions energy: -1739.235 where: short stacking energy: -764.221 Base-Backbone interact. energy: -4.342 local terms energy: -731.381654 where: bonds (distance) C4'-P energy: -119.457 bonds (distance) P-C4' energy: -119.764 flat angles C4'-P-C4' energy: -145.132 flat angles P-C4'-P energy: -118.404 tors. eta vs tors. theta energy: -228.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -2285.712763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.712763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.712763 (E_RNA) where: Base-Base interactions energy: -1589.888 where: short stacking energy: -701.861 Base-Backbone interact. energy: -4.230 local terms energy: -691.594061 where: bonds (distance) C4'-P energy: -122.655 bonds (distance) P-C4' energy: -119.488 flat angles C4'-P-C4' energy: -149.685 flat angles P-C4'-P energy: -89.007 tors. eta vs tors. theta energy: -210.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -2246.349249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.349249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.349249 (E_RNA) where: Base-Base interactions energy: -1565.522 where: short stacking energy: -645.266 Base-Backbone interact. energy: -3.384 local terms energy: -677.442498 where: bonds (distance) C4'-P energy: -144.489 bonds (distance) P-C4' energy: -103.050 flat angles C4'-P-C4' energy: -145.577 flat angles P-C4'-P energy: -94.085 tors. eta vs tors. theta energy: -190.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -2160.041833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.041833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.041833 (E_RNA) where: Base-Base interactions energy: -1523.304 where: short stacking energy: -634.223 Base-Backbone interact. energy: -0.442 local terms energy: -636.295644 where: bonds (distance) C4'-P energy: -115.048 bonds (distance) P-C4' energy: -129.947 flat angles C4'-P-C4' energy: -136.947 flat angles P-C4'-P energy: -76.143 tors. eta vs tors. theta energy: -178.211 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: 6 Temperature: 1.100000 Total energy: -2073.063498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.063498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.063498 (E_RNA) where: Base-Base interactions energy: -1421.756 where: short stacking energy: -605.829 Base-Backbone interact. energy: -3.835 local terms energy: -647.472532 where: bonds (distance) C4'-P energy: -111.922 bonds (distance) P-C4' energy: -115.451 flat angles C4'-P-C4' energy: -136.519 flat angles P-C4'-P energy: -100.392 tors. eta vs tors. theta energy: -183.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1918.027286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.027286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.027286 (E_RNA) where: Base-Base interactions energy: -1324.923 where: short stacking energy: -543.674 Base-Backbone interact. energy: -1.069 local terms energy: -592.035787 where: bonds (distance) C4'-P energy: -88.153 bonds (distance) P-C4' energy: -135.458 flat angles C4'-P-C4' energy: -136.010 flat angles P-C4'-P energy: -92.749 tors. eta vs tors. theta energy: -139.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -1690.919306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.919306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.919306 (E_RNA) where: Base-Base interactions energy: -1121.465 where: short stacking energy: -476.096 Base-Backbone interact. energy: -1.688 local terms energy: -567.766307 where: bonds (distance) C4'-P energy: -121.527 bonds (distance) P-C4' energy: -112.639 flat angles C4'-P-C4' energy: -135.580 flat angles P-C4'-P energy: -78.398 tors. eta vs tors. theta energy: -119.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -1491.464184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.464184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.464184 (E_RNA) where: Base-Base interactions energy: -995.113 where: short stacking energy: -409.290 Base-Backbone interact. energy: -2.912 local terms energy: -493.439079 where: bonds (distance) C4'-P energy: -86.098 bonds (distance) P-C4' energy: -131.983 flat angles C4'-P-C4' energy: -115.041 flat angles P-C4'-P energy: -70.770 tors. eta vs tors. theta energy: -89.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -1395.736609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.736609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.736609 (E_RNA) where: Base-Base interactions energy: -903.066 where: short stacking energy: -406.773 Base-Backbone interact. energy: -1.489 local terms energy: -491.181182 where: bonds (distance) C4'-P energy: -91.537 bonds (distance) P-C4' energy: -108.813 flat angles C4'-P-C4' energy: -130.453 flat angles P-C4'-P energy: -69.655 tors. eta vs tors. theta energy: -90.723 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: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -1178.879965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.879965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.879965 (E_RNA) where: Base-Base interactions energy: -741.885 where: short stacking energy: -352.512 Base-Backbone interact. energy: 0.822 local terms energy: -437.817642 where: bonds (distance) C4'-P energy: -93.876 bonds (distance) P-C4' energy: -115.455 flat angles C4'-P-C4' energy: -107.564 flat angles P-C4'-P energy: -47.311 tors. eta vs tors. theta energy: -73.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -2453.852144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.852144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.852144 (E_RNA) where: Base-Base interactions energy: -1709.179 where: short stacking energy: -766.119 Base-Backbone interact. energy: -2.919 local terms energy: -741.754203 where: bonds (distance) C4'-P energy: -134.804 bonds (distance) P-C4' energy: -130.399 flat angles C4'-P-C4' energy: -158.254 flat angles P-C4'-P energy: -102.074 tors. eta vs tors. theta energy: -216.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -2333.157781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.157781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.157781 (E_RNA) where: Base-Base interactions energy: -1632.212 where: short stacking energy: -699.266 Base-Backbone interact. energy: -2.013 local terms energy: -698.933319 where: bonds (distance) C4'-P energy: -120.245 bonds (distance) P-C4' energy: -133.409 flat angles C4'-P-C4' energy: -153.318 flat angles P-C4'-P energy: -84.799 tors. eta vs tors. theta energy: -207.163 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: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -2236.682496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.682496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.682496 (E_RNA) where: Base-Base interactions energy: -1568.271 where: short stacking energy: -658.874 Base-Backbone interact. energy: -3.153 local terms energy: -665.258839 where: bonds (distance) C4'-P energy: -129.772 bonds (distance) P-C4' energy: -115.606 flat angles C4'-P-C4' energy: -139.035 flat angles P-C4'-P energy: -87.505 tors. eta vs tors. theta energy: -193.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -2162.004814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.004814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.004814 (E_RNA) where: Base-Base interactions energy: -1516.270 where: short stacking energy: -632.900 Base-Backbone interact. energy: 0.395 local terms energy: -646.130541 where: bonds (distance) C4'-P energy: -126.750 bonds (distance) P-C4' energy: -118.490 flat angles C4'-P-C4' energy: -146.253 flat angles P-C4'-P energy: -94.594 tors. eta vs tors. theta energy: -160.043 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: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -2076.051184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.051184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.051184 (E_RNA) where: Base-Base interactions energy: -1460.774 where: short stacking energy: -594.029 Base-Backbone interact. energy: -5.484 local terms energy: -609.792739 where: bonds (distance) C4'-P energy: -111.817 bonds (distance) P-C4' energy: -109.362 flat angles C4'-P-C4' energy: -123.752 flat angles P-C4'-P energy: -89.815 tors. eta vs tors. theta energy: -175.047 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: 7 Temperature: 1.150000 Total energy: -1910.653002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.653002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.653002 (E_RNA) where: Base-Base interactions energy: -1333.807 where: short stacking energy: -538.602 Base-Backbone interact. energy: -2.424 local terms energy: -574.421395 where: bonds (distance) C4'-P energy: -92.270 bonds (distance) P-C4' energy: -114.134 flat angles C4'-P-C4' energy: -136.731 flat angles P-C4'-P energy: -78.110 tors. eta vs tors. theta energy: -153.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1731.311353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.311353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.311353 (E_RNA) where: Base-Base interactions energy: -1141.290 where: short stacking energy: -517.187 Base-Backbone interact. energy: -4.085 local terms energy: -585.936838 where: bonds (distance) C4'-P energy: -116.637 bonds (distance) P-C4' energy: -119.477 flat angles C4'-P-C4' energy: -139.274 flat angles P-C4'-P energy: -62.449 tors. eta vs tors. theta energy: -148.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -1501.778509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.778509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.778509 (E_RNA) where: Base-Base interactions energy: -981.612 where: short stacking energy: -422.336 Base-Backbone interact. energy: -0.974 local terms energy: -519.192789 where: bonds (distance) C4'-P energy: -97.005 bonds (distance) P-C4' energy: -115.603 flat angles C4'-P-C4' energy: -136.798 flat angles P-C4'-P energy: -77.385 tors. eta vs tors. theta energy: -92.401 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: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -1521.983261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.983261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.983261 (E_RNA) where: Base-Base interactions energy: -996.186 where: short stacking energy: -422.112 Base-Backbone interact. energy: -3.971 local terms energy: -521.826110 where: bonds (distance) C4'-P energy: -94.548 bonds (distance) P-C4' energy: -122.011 flat angles C4'-P-C4' energy: -120.191 flat angles P-C4'-P energy: -79.426 tors. eta vs tors. theta energy: -105.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -1072.916889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.916889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.916889 (E_RNA) where: Base-Base interactions energy: -645.621 where: short stacking energy: -304.406 Base-Backbone interact. energy: -1.290 local terms energy: -426.005311 where: bonds (distance) C4'-P energy: -111.594 bonds (distance) P-C4' energy: -97.756 flat angles C4'-P-C4' energy: -101.992 flat angles P-C4'-P energy: -71.104 tors. eta vs tors. theta energy: -43.559 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -2436.879606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.879606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.879606 (E_RNA) where: Base-Base interactions energy: -1708.112 where: short stacking energy: -733.418 Base-Backbone interact. energy: -4.040 local terms energy: -724.727796 where: bonds (distance) C4'-P energy: -116.947 bonds (distance) P-C4' energy: -142.564 flat angles C4'-P-C4' energy: -153.753 flat angles P-C4'-P energy: -104.282 tors. eta vs tors. theta energy: -207.181 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: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -2339.582398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.582398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.582398 (E_RNA) where: Base-Base interactions energy: -1650.755 where: short stacking energy: -683.302 Base-Backbone interact. energy: 0.172 local terms energy: -688.999613 where: bonds (distance) C4'-P energy: -128.897 bonds (distance) P-C4' energy: -130.742 flat angles C4'-P-C4' energy: -142.701 flat angles P-C4'-P energy: -86.708 tors. eta vs tors. theta energy: -199.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -2225.592792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.592792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.592792 (E_RNA) where: Base-Base interactions energy: -1558.090 where: short stacking energy: -647.579 Base-Backbone interact. energy: 1.301 local terms energy: -668.803832 where: bonds (distance) C4'-P energy: -121.787 bonds (distance) P-C4' energy: -123.300 flat angles C4'-P-C4' energy: -139.878 flat angles P-C4'-P energy: -104.627 tors. eta vs tors. theta energy: -179.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -2142.949358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.949358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.949358 (E_RNA) where: Base-Base interactions energy: -1457.865 where: short stacking energy: -645.473 Base-Backbone interact. energy: 1.000 local terms energy: -686.084007 where: bonds (distance) C4'-P energy: -127.070 bonds (distance) P-C4' energy: -138.622 flat angles C4'-P-C4' energy: -149.507 flat angles P-C4'-P energy: -92.061 tors. eta vs tors. theta energy: -178.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -2110.910417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.910417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.910417 (E_RNA) where: Base-Base interactions energy: -1469.808 where: short stacking energy: -616.095 Base-Backbone interact. energy: -0.874 local terms energy: -640.227925 where: bonds (distance) C4'-P energy: -112.042 bonds (distance) P-C4' energy: -103.737 flat angles C4'-P-C4' energy: -145.374 flat angles P-C4'-P energy: -92.803 tors. eta vs tors. theta energy: -186.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1954.600255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.600255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.600255 (E_RNA) where: Base-Base interactions energy: -1378.531 where: short stacking energy: -564.940 Base-Backbone interact. energy: -1.897 local terms energy: -574.172098 where: bonds (distance) C4'-P energy: -100.396 bonds (distance) P-C4' energy: -114.537 flat angles C4'-P-C4' energy: -115.633 flat angles P-C4'-P energy: -86.262 tors. eta vs tors. theta energy: -157.344 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: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1679.950064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.950064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.950064 (E_RNA) where: Base-Base interactions energy: -1146.037 where: short stacking energy: -501.835 Base-Backbone interact. energy: -0.055 local terms energy: -533.858010 where: bonds (distance) C4'-P energy: -101.923 bonds (distance) P-C4' energy: -106.589 flat angles C4'-P-C4' energy: -127.309 flat angles P-C4'-P energy: -76.039 tors. eta vs tors. theta energy: -121.998 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: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -1518.207332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.207332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.207332 (E_RNA) where: Base-Base interactions energy: -981.946 where: short stacking energy: -429.330 Base-Backbone interact. energy: -2.802 local terms energy: -533.459611 where: bonds (distance) C4'-P energy: -99.809 bonds (distance) P-C4' energy: -124.111 flat angles C4'-P-C4' energy: -129.901 flat angles P-C4'-P energy: -67.852 tors. eta vs tors. theta energy: -111.787 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: 8 Temperature: 1.300000 Total energy: -1464.150050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.150050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.150050 (E_RNA) where: Base-Base interactions energy: -979.927 where: short stacking energy: -424.058 Base-Backbone interact. energy: -2.928 local terms energy: -481.295051 where: bonds (distance) C4'-P energy: -103.153 bonds (distance) P-C4' energy: -118.900 flat angles C4'-P-C4' energy: -104.063 flat angles P-C4'-P energy: -56.842 tors. eta vs tors. theta energy: -98.337 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: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -1104.236905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.236905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.236905 (E_RNA) where: Base-Base interactions energy: -692.926 where: short stacking energy: -311.314 Base-Backbone interact. energy: 2.832 local terms energy: -414.142558 where: bonds (distance) C4'-P energy: -90.006 bonds (distance) P-C4' energy: -126.325 flat angles C4'-P-C4' energy: -83.623 flat angles P-C4'-P energy: -64.340 tors. eta vs tors. theta energy: -49.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -2444.094236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.094236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.094236 (E_RNA) where: Base-Base interactions energy: -1706.778 where: short stacking energy: -744.476 Base-Backbone interact. energy: -1.797 local terms energy: -735.519087 where: bonds (distance) C4'-P energy: -123.649 bonds (distance) P-C4' energy: -130.766 flat angles C4'-P-C4' energy: -159.272 flat angles P-C4'-P energy: -103.867 tors. eta vs tors. theta energy: -217.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -2282.020653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.020653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.020653 (E_RNA) where: Base-Base interactions energy: -1570.898 where: short stacking energy: -677.223 Base-Backbone interact. energy: -2.620 local terms energy: -708.502857 where: bonds (distance) C4'-P energy: -122.324 bonds (distance) P-C4' energy: -133.074 flat angles C4'-P-C4' energy: -149.991 flat angles P-C4'-P energy: -109.116 tors. eta vs tors. theta energy: -193.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -2279.195002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.195002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.195002 (E_RNA) where: Base-Base interactions energy: -1604.353 where: short stacking energy: -690.560 Base-Backbone interact. energy: -0.791 local terms energy: -674.051469 where: bonds (distance) C4'-P energy: -115.875 bonds (distance) P-C4' energy: -116.134 flat angles C4'-P-C4' energy: -145.309 flat angles P-C4'-P energy: -91.557 tors. eta vs tors. theta energy: -205.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -2162.230884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.230884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.230884 (E_RNA) where: Base-Base interactions energy: -1496.537 where: short stacking energy: -636.236 Base-Backbone interact. energy: -1.715 local terms energy: -663.979210 where: bonds (distance) C4'-P energy: -122.691 bonds (distance) P-C4' energy: -126.140 flat angles C4'-P-C4' energy: -140.369 flat angles P-C4'-P energy: -84.925 tors. eta vs tors. theta energy: -189.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -2139.908159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.908159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.908159 (E_RNA) where: Base-Base interactions energy: -1494.586 where: short stacking energy: -630.789 Base-Backbone interact. energy: -4.834 local terms energy: -640.488153 where: bonds (distance) C4'-P energy: -105.906 bonds (distance) P-C4' energy: -124.219 flat angles C4'-P-C4' energy: -137.850 flat angles P-C4'-P energy: -79.647 tors. eta vs tors. theta energy: -192.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1899.672742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.672742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.672742 (E_RNA) where: Base-Base interactions energy: -1327.142 where: short stacking energy: -546.016 Base-Backbone interact. energy: -1.715 local terms energy: -570.816176 where: bonds (distance) C4'-P energy: -109.969 bonds (distance) P-C4' energy: -112.212 flat angles C4'-P-C4' energy: -128.625 flat angles P-C4'-P energy: -82.820 tors. eta vs tors. theta energy: -137.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1715.393095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.393095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.393095 (E_RNA) where: Base-Base interactions energy: -1184.452 where: short stacking energy: -508.967 Base-Backbone interact. energy: -0.822 local terms energy: -530.118848 where: bonds (distance) C4'-P energy: -90.936 bonds (distance) P-C4' energy: -105.656 flat angles C4'-P-C4' energy: -126.710 flat angles P-C4'-P energy: -81.965 tors. eta vs tors. theta energy: -124.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1527.432568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.432568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.432568 (E_RNA) where: Base-Base interactions energy: -1016.997 where: short stacking energy: -439.107 Base-Backbone interact. energy: -1.663 local terms energy: -508.772385 where: bonds (distance) C4'-P energy: -114.295 bonds (distance) P-C4' energy: -111.257 flat angles C4'-P-C4' energy: -116.436 flat angles P-C4'-P energy: -66.089 tors. eta vs tors. theta energy: -100.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -1445.050290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.050290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.050290 (E_RNA) where: Base-Base interactions energy: -966.921 where: short stacking energy: -443.908 Base-Backbone interact. energy: 1.946 local terms energy: -480.074432 where: bonds (distance) C4'-P energy: -110.090 bonds (distance) P-C4' energy: -79.237 flat angles C4'-P-C4' energy: -121.059 flat angles P-C4'-P energy: -66.686 tors. eta vs tors. theta energy: -103.002 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: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -1120.609019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.609019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.609019 (E_RNA) where: Base-Base interactions energy: -667.909 where: short stacking energy: -305.040 Base-Backbone interact. energy: -1.582 local terms energy: -451.118570 where: bonds (distance) C4'-P energy: -89.007 bonds (distance) P-C4' energy: -116.597 flat angles C4'-P-C4' energy: -109.705 flat angles P-C4'-P energy: -70.065 tors. eta vs tors. theta energy: -65.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -2489.799369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.799369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.799369 (E_RNA) where: Base-Base interactions energy: -1709.310 where: short stacking energy: -745.720 Base-Backbone interact. energy: -3.400 local terms energy: -777.089807 where: bonds (distance) C4'-P energy: -138.480 bonds (distance) P-C4' energy: -139.756 flat angles C4'-P-C4' energy: -164.449 flat angles P-C4'-P energy: -105.224 tors. eta vs tors. theta energy: -229.180 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: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -2307.072182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.072182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.072182 (E_RNA) where: Base-Base interactions energy: -1626.327 where: short stacking energy: -663.042 Base-Backbone interact. energy: -3.673 local terms energy: -677.072414 where: bonds (distance) C4'-P energy: -123.265 bonds (distance) P-C4' energy: -111.768 flat angles C4'-P-C4' energy: -142.531 flat angles P-C4'-P energy: -96.090 tors. eta vs tors. theta energy: -203.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -2253.668014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.668014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.668014 (E_RNA) where: Base-Base interactions energy: -1568.378 where: short stacking energy: -668.669 Base-Backbone interact. energy: -3.274 local terms energy: -682.015596 where: bonds (distance) C4'-P energy: -116.685 bonds (distance) P-C4' energy: -125.667 flat angles C4'-P-C4' energy: -148.532 flat angles P-C4'-P energy: -96.937 tors. eta vs tors. theta energy: -194.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -2140.024931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.024931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.024931 (E_RNA) where: Base-Base interactions energy: -1465.812 where: short stacking energy: -603.212 Base-Backbone interact. energy: -2.476 local terms energy: -671.737316 where: bonds (distance) C4'-P energy: -124.646 bonds (distance) P-C4' energy: -128.918 flat angles C4'-P-C4' energy: -144.175 flat angles P-C4'-P energy: -100.653 tors. eta vs tors. theta energy: -173.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -2113.211823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.211823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.211823 (E_RNA) where: Base-Base interactions energy: -1486.388 where: short stacking energy: -610.498 Base-Backbone interact. energy: 2.700 local terms energy: -629.524642 where: bonds (distance) C4'-P energy: -116.296 bonds (distance) P-C4' energy: -101.955 flat angles C4'-P-C4' energy: -133.514 flat angles P-C4'-P energy: -91.963 tors. eta vs tors. theta energy: -185.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1926.070590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.070590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.070590 (E_RNA) where: Base-Base interactions energy: -1316.545 where: short stacking energy: -556.072 Base-Backbone interact. energy: -4.698 local terms energy: -604.828003 where: bonds (distance) C4'-P energy: -124.157 bonds (distance) P-C4' energy: -117.478 flat angles C4'-P-C4' energy: -126.429 flat angles P-C4'-P energy: -82.022 tors. eta vs tors. theta energy: -154.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1657.551877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.551877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.551877 (E_RNA) where: Base-Base interactions energy: -1145.507 where: short stacking energy: -487.329 Base-Backbone interact. energy: -2.182 local terms energy: -509.863383 where: bonds (distance) C4'-P energy: -99.141 bonds (distance) P-C4' energy: -103.798 flat angles C4'-P-C4' energy: -122.263 flat angles P-C4'-P energy: -68.137 tors. eta vs tors. theta energy: -116.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1519.379858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.379858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.379858 (E_RNA) where: Base-Base interactions energy: -1001.758 where: short stacking energy: -423.196 Base-Backbone interact. energy: 0.071 local terms energy: -517.692367 where: bonds (distance) C4'-P energy: -104.058 bonds (distance) P-C4' energy: -105.393 flat angles C4'-P-C4' energy: -121.855 flat angles P-C4'-P energy: -78.680 tors. eta vs tors. theta energy: -107.707 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: 10 Temperature: 1.300000 Total energy: -1409.885474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.885474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.885474 (E_RNA) where: Base-Base interactions energy: -909.173 where: short stacking energy: -371.019 Base-Backbone interact. energy: -0.931 local terms energy: -499.781110 where: bonds (distance) C4'-P energy: -125.365 bonds (distance) P-C4' energy: -115.505 flat angles C4'-P-C4' energy: -114.011 flat angles P-C4'-P energy: -63.708 tors. eta vs tors. theta energy: -81.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -1098.175857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.175857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.175857 (E_RNA) where: Base-Base interactions energy: -675.480 where: short stacking energy: -328.604 Base-Backbone interact. energy: 2.224 local terms energy: -424.919365 where: bonds (distance) C4'-P energy: -97.395 bonds (distance) P-C4' energy: -98.435 flat angles C4'-P-C4' energy: -111.397 flat angles P-C4'-P energy: -58.075 tors. eta vs tors. theta energy: -59.616 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: 11 Temperature: 0.900000 Total energy: -2443.008388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.008388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.008388 (E_RNA) where: Base-Base interactions energy: -1667.123 where: short stacking energy: -728.760 Base-Backbone interact. energy: -3.104 local terms energy: -772.781170 where: bonds (distance) C4'-P energy: -133.248 bonds (distance) P-C4' energy: -145.181 flat angles C4'-P-C4' energy: -159.119 flat angles P-C4'-P energy: -108.055 tors. eta vs tors. theta energy: -227.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -2312.953360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.953360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.953360 (E_RNA) where: Base-Base interactions energy: -1616.818 where: short stacking energy: -694.848 Base-Backbone interact. energy: -0.125 local terms energy: -696.009950 where: bonds (distance) C4'-P energy: -112.418 bonds (distance) P-C4' energy: -127.904 flat angles C4'-P-C4' energy: -152.535 flat angles P-C4'-P energy: -102.359 tors. eta vs tors. theta energy: -200.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -2246.783756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.783756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.783756 (E_RNA) where: Base-Base interactions energy: -1543.509 where: short stacking energy: -641.408 Base-Backbone interact. energy: -2.471 local terms energy: -700.804226 where: bonds (distance) C4'-P energy: -130.431 bonds (distance) P-C4' energy: -124.032 flat angles C4'-P-C4' energy: -148.258 flat angles P-C4'-P energy: -97.164 tors. eta vs tors. theta energy: -200.920 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: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -2201.208672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.208672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.208672 (E_RNA) where: Base-Base interactions energy: -1528.804 where: short stacking energy: -642.843 Base-Backbone interact. energy: -2.428 local terms energy: -669.976519 where: bonds (distance) C4'-P energy: -113.113 bonds (distance) P-C4' energy: -131.865 flat angles C4'-P-C4' energy: -137.814 flat angles P-C4'-P energy: -96.331 tors. eta vs tors. theta energy: -190.854 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: 4 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -2057.606698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.606698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.606698 (E_RNA) where: Base-Base interactions energy: -1436.425 where: short stacking energy: -583.992 Base-Backbone interact. energy: -0.747 local terms energy: -620.434592 where: bonds (distance) C4'-P energy: -105.314 bonds (distance) P-C4' energy: -127.274 flat angles C4'-P-C4' energy: -138.929 flat angles P-C4'-P energy: -87.241 tors. eta vs tors. theta energy: -161.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1892.778088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.778088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.778088 (E_RNA) where: Base-Base interactions energy: -1306.540 where: short stacking energy: -545.232 Base-Backbone interact. energy: -3.587 local terms energy: -582.651542 where: bonds (distance) C4'-P energy: -105.964 bonds (distance) P-C4' energy: -101.182 flat angles C4'-P-C4' energy: -136.938 flat angles P-C4'-P energy: -91.131 tors. eta vs tors. theta energy: -147.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1715.501872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.501872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.501872 (E_RNA) where: Base-Base interactions energy: -1167.650 where: short stacking energy: -516.952 Base-Backbone interact. energy: -0.808 local terms energy: -547.043624 where: bonds (distance) C4'-P energy: -104.553 bonds (distance) P-C4' energy: -104.526 flat angles C4'-P-C4' energy: -134.755 flat angles P-C4'-P energy: -66.348 tors. eta vs tors. theta energy: -136.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1554.001194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.001194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.001194 (E_RNA) where: Base-Base interactions energy: -1043.432 where: short stacking energy: -443.592 Base-Backbone interact. energy: -0.699 local terms energy: -509.870334 where: bonds (distance) C4'-P energy: -99.335 bonds (distance) P-C4' energy: -122.131 flat angles C4'-P-C4' energy: -107.109 flat angles P-C4'-P energy: -73.545 tors. eta vs tors. theta energy: -107.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -1387.026402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.026402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.026402 (E_RNA) where: Base-Base interactions energy: -899.224 where: short stacking energy: -393.680 Base-Backbone interact. energy: -0.440 local terms energy: -487.362160 where: bonds (distance) C4'-P energy: -88.730 bonds (distance) P-C4' energy: -115.402 flat angles C4'-P-C4' energy: -113.671 flat angles P-C4'-P energy: -77.370 tors. eta vs tors. theta energy: -92.188 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: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -1019.219332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.219332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.219332 (E_RNA) where: Base-Base interactions energy: -607.456 where: short stacking energy: -288.043 Base-Backbone interact. energy: -1.199 local terms energy: -410.564692 where: bonds (distance) C4'-P energy: -94.929 bonds (distance) P-C4' energy: -98.622 flat angles C4'-P-C4' energy: -101.408 flat angles P-C4'-P energy: -71.299 tors. eta vs tors. theta energy: -44.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -2445.090657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.090657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.090657 (E_RNA) where: Base-Base interactions energy: -1691.634 where: short stacking energy: -699.836 Base-Backbone interact. energy: -4.161 local terms energy: -749.295854 where: bonds (distance) C4'-P energy: -129.192 bonds (distance) P-C4' energy: -129.303 flat angles C4'-P-C4' energy: -163.296 flat angles P-C4'-P energy: -109.010 tors. eta vs tors. theta energy: -218.494 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: 12 Temperature: 0.950000 Total energy: -2327.961558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.961558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.961558 (E_RNA) where: Base-Base interactions energy: -1623.411 where: short stacking energy: -697.091 Base-Backbone interact. energy: -3.582 local terms energy: -700.968763 where: bonds (distance) C4'-P energy: -120.488 bonds (distance) P-C4' energy: -122.892 flat angles C4'-P-C4' energy: -147.236 flat angles P-C4'-P energy: -105.280 tors. eta vs tors. theta energy: -205.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -2269.028989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.028989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.028989 (E_RNA) where: Base-Base interactions energy: -1585.636 where: short stacking energy: -668.365 Base-Backbone interact. energy: -4.038 local terms energy: -679.355173 where: bonds (distance) C4'-P energy: -110.226 bonds (distance) P-C4' energy: -130.449 flat angles C4'-P-C4' energy: -136.430 flat angles P-C4'-P energy: -112.464 tors. eta vs tors. theta energy: -189.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -2244.835808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.835808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.835808 (E_RNA) where: Base-Base interactions energy: -1557.317 where: short stacking energy: -662.485 Base-Backbone interact. energy: -4.861 local terms energy: -682.657484 where: bonds (distance) C4'-P energy: -121.941 bonds (distance) P-C4' energy: -141.356 flat angles C4'-P-C4' energy: -137.400 flat angles P-C4'-P energy: -84.789 tors. eta vs tors. theta energy: -197.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -2061.213451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.213451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.213451 (E_RNA) where: Base-Base interactions energy: -1415.113 where: short stacking energy: -606.266 Base-Backbone interact. energy: -2.171 local terms energy: -643.929677 where: bonds (distance) C4'-P energy: -114.004 bonds (distance) P-C4' energy: -140.817 flat angles C4'-P-C4' energy: -132.132 flat angles P-C4'-P energy: -80.862 tors. eta vs tors. theta energy: -176.115 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: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1849.030454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.030454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.030454 (E_RNA) where: Base-Base interactions energy: -1232.211 where: short stacking energy: -558.277 Base-Backbone interact. energy: -0.510 local terms energy: -616.309624 where: bonds (distance) C4'-P energy: -122.248 bonds (distance) P-C4' energy: -114.720 flat angles C4'-P-C4' energy: -146.972 flat angles P-C4'-P energy: -83.084 tors. eta vs tors. theta energy: -149.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1720.066242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.066242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.066242 (E_RNA) where: Base-Base interactions energy: -1179.882 where: short stacking energy: -511.784 Base-Backbone interact. energy: -3.765 local terms energy: -536.418429 where: bonds (distance) C4'-P energy: -104.709 bonds (distance) P-C4' energy: -125.654 flat angles C4'-P-C4' energy: -117.455 flat angles P-C4'-P energy: -69.890 tors. eta vs tors. theta energy: -118.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1598.605826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.605826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.605826 (E_RNA) where: Base-Base interactions energy: -1067.615 where: short stacking energy: -457.139 Base-Backbone interact. energy: 5.201 local terms energy: -536.191718 where: bonds (distance) C4'-P energy: -112.784 bonds (distance) P-C4' energy: -103.389 flat angles C4'-P-C4' energy: -130.218 flat angles P-C4'-P energy: -66.111 tors. eta vs tors. theta energy: -123.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1405.938949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.938949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.938949 (E_RNA) where: Base-Base interactions energy: -932.703 where: short stacking energy: -415.964 Base-Backbone interact. energy: -3.442 local terms energy: -469.793514 where: bonds (distance) C4'-P energy: -105.144 bonds (distance) P-C4' energy: -104.606 flat angles C4'-P-C4' energy: -102.895 flat angles P-C4'-P energy: -72.737 tors. eta vs tors. theta energy: -84.412 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: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -1077.044997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.044997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.044997 (E_RNA) where: Base-Base interactions energy: -654.936 where: short stacking energy: -314.795 Base-Backbone interact. energy: 1.787 local terms energy: -423.896057 where: bonds (distance) C4'-P energy: -109.595 bonds (distance) P-C4' energy: -123.665 flat angles C4'-P-C4' energy: -101.306 flat angles P-C4'-P energy: -48.818 tors. eta vs tors. theta energy: -40.512 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: 13 Temperature: 0.900000 Total energy: -2473.633145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.633145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.633145 (E_RNA) where: Base-Base interactions energy: -1737.319 where: short stacking energy: -740.774 Base-Backbone interact. energy: -5.863 local terms energy: -730.451343 where: bonds (distance) C4'-P energy: -139.927 bonds (distance) P-C4' energy: -131.161 flat angles C4'-P-C4' energy: -140.679 flat angles P-C4'-P energy: -103.943 tors. eta vs tors. theta energy: -214.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -2335.836418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.836418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.836418 (E_RNA) where: Base-Base interactions energy: -1625.674 where: short stacking energy: -709.693 Base-Backbone interact. energy: -1.242 local terms energy: -708.920540 where: bonds (distance) C4'-P energy: -131.091 bonds (distance) P-C4' energy: -122.327 flat angles C4'-P-C4' energy: -154.490 flat angles P-C4'-P energy: -95.569 tors. eta vs tors. theta energy: -205.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -2283.690182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.690182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.690182 (E_RNA) where: Base-Base interactions energy: -1590.606 where: short stacking energy: -658.880 Base-Backbone interact. energy: -4.762 local terms energy: -688.321363 where: bonds (distance) C4'-P energy: -122.879 bonds (distance) P-C4' energy: -117.963 flat angles C4'-P-C4' energy: -141.971 flat angles P-C4'-P energy: -108.635 tors. eta vs tors. theta energy: -196.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -2224.116946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.116946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.116946 (E_RNA) where: Base-Base interactions energy: -1556.282 where: short stacking energy: -655.975 Base-Backbone interact. energy: -2.120 local terms energy: -665.714970 where: bonds (distance) C4'-P energy: -109.649 bonds (distance) P-C4' energy: -117.567 flat angles C4'-P-C4' energy: -140.283 flat angles P-C4'-P energy: -99.563 tors. eta vs tors. theta energy: -198.654 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: 13 Temperature: 1.100000 Total energy: -2124.120119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.120119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.120119 (E_RNA) where: Base-Base interactions energy: -1470.273 where: short stacking energy: -630.815 Base-Backbone interact. energy: -2.689 local terms energy: -651.157617 where: bonds (distance) C4'-P energy: -121.767 bonds (distance) P-C4' energy: -126.054 flat angles C4'-P-C4' energy: -143.448 flat angles P-C4'-P energy: -82.997 tors. eta vs tors. theta energy: -176.891 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: 13 Temperature: 1.150000 Total energy: -1879.167223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.167223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.167223 (E_RNA) where: Base-Base interactions energy: -1282.233 where: short stacking energy: -552.157 Base-Backbone interact. energy: 7.260 local terms energy: -604.194796 where: bonds (distance) C4'-P energy: -108.789 bonds (distance) P-C4' energy: -119.037 flat angles C4'-P-C4' energy: -131.454 flat angles P-C4'-P energy: -92.304 tors. eta vs tors. theta energy: -152.610 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: 13 Temperature: 1.200000 Total energy: -1760.096245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.096245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.096245 (E_RNA) where: Base-Base interactions energy: -1199.030 where: short stacking energy: -524.942 Base-Backbone interact. energy: -0.808 local terms energy: -560.257528 where: bonds (distance) C4'-P energy: -106.404 bonds (distance) P-C4' energy: -122.222 flat angles C4'-P-C4' energy: -112.085 flat angles P-C4'-P energy: -89.537 tors. eta vs tors. theta energy: -130.009 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: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1583.284534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.284534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.284534 (E_RNA) where: Base-Base interactions energy: -1030.207 where: short stacking energy: -452.220 Base-Backbone interact. energy: -1.000 local terms energy: -552.077336 where: bonds (distance) C4'-P energy: -98.530 bonds (distance) P-C4' energy: -110.635 flat angles C4'-P-C4' energy: -131.607 flat angles P-C4'-P energy: -96.278 tors. eta vs tors. theta energy: -115.027 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: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -1350.220429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.220429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.220429 (E_RNA) where: Base-Base interactions energy: -907.025 where: short stacking energy: -402.842 Base-Backbone interact. energy: 5.659 local terms energy: -448.854373 where: bonds (distance) C4'-P energy: -103.442 bonds (distance) P-C4' energy: -100.308 flat angles C4'-P-C4' energy: -110.894 flat angles P-C4'-P energy: -54.647 tors. eta vs tors. theta energy: -79.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -1014.176382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.176382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.176382 (E_RNA) where: Base-Base interactions energy: -653.823 where: short stacking energy: -288.556 Base-Backbone interact. energy: 3.013 local terms energy: -363.366906 where: bonds (distance) C4'-P energy: -103.734 bonds (distance) P-C4' energy: -89.161 flat angles C4'-P-C4' energy: -99.768 flat angles P-C4'-P energy: -54.856 tors. eta vs tors. theta energy: -15.849 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: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2477.290114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.290114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.290114 (E_RNA) where: Base-Base interactions energy: -1734.706 where: short stacking energy: -724.076 Base-Backbone interact. energy: -3.132 local terms energy: -739.452509 where: bonds (distance) C4'-P energy: -126.586 bonds (distance) P-C4' energy: -128.076 flat angles C4'-P-C4' energy: -153.504 flat angles P-C4'-P energy: -116.093 tors. eta vs tors. theta energy: -215.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -2350.109555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.109555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.109555 (E_RNA) where: Base-Base interactions energy: -1658.683 where: short stacking energy: -715.749 Base-Backbone interact. energy: -2.317 local terms energy: -689.109577 where: bonds (distance) C4'-P energy: -111.862 bonds (distance) P-C4' energy: -124.105 flat angles C4'-P-C4' energy: -139.864 flat angles P-C4'-P energy: -101.851 tors. eta vs tors. theta energy: -211.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -2287.003805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.003805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.003805 (E_RNA) where: Base-Base interactions energy: -1612.662 where: short stacking energy: -673.730 Base-Backbone interact. energy: -3.461 local terms energy: -670.881080 where: bonds (distance) C4'-P energy: -119.405 bonds (distance) P-C4' energy: -112.519 flat angles C4'-P-C4' energy: -151.358 flat angles P-C4'-P energy: -98.439 tors. eta vs tors. theta energy: -189.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -2252.866146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.866146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.866146 (E_RNA) where: Base-Base interactions energy: -1568.971 where: short stacking energy: -663.186 Base-Backbone interact. energy: 1.367 local terms energy: -685.262636 where: bonds (distance) C4'-P energy: -137.133 bonds (distance) P-C4' energy: -117.085 flat angles C4'-P-C4' energy: -152.299 flat angles P-C4'-P energy: -85.877 tors. eta vs tors. theta energy: -192.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -2056.201683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.201683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.201683 (E_RNA) where: Base-Base interactions energy: -1413.713 where: short stacking energy: -574.729 Base-Backbone interact. energy: 2.168 local terms energy: -644.656975 where: bonds (distance) C4'-P energy: -113.508 bonds (distance) P-C4' energy: -133.523 flat angles C4'-P-C4' energy: -142.237 flat angles P-C4'-P energy: -88.472 tors. eta vs tors. theta energy: -166.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1822.381866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.381866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.381866 (E_RNA) where: Base-Base interactions energy: -1236.562 where: short stacking energy: -536.685 Base-Backbone interact. energy: -4.543 local terms energy: -581.276561 where: bonds (distance) C4'-P energy: -115.701 bonds (distance) P-C4' energy: -109.656 flat angles C4'-P-C4' energy: -132.811 flat angles P-C4'-P energy: -85.263 tors. eta vs tors. theta energy: -137.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1735.044369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.044369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.044369 (E_RNA) where: Base-Base interactions energy: -1152.262 where: short stacking energy: -517.419 Base-Backbone interact. energy: -1.885 local terms energy: -580.897482 where: bonds (distance) C4'-P energy: -131.781 bonds (distance) P-C4' energy: -111.342 flat angles C4'-P-C4' energy: -124.599 flat angles P-C4'-P energy: -81.019 tors. eta vs tors. theta energy: -132.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1571.036246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.036246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.036246 (E_RNA) where: Base-Base interactions energy: -1024.519 where: short stacking energy: -460.803 Base-Backbone interact. energy: -2.218 local terms energy: -544.298966 where: bonds (distance) C4'-P energy: -104.750 bonds (distance) P-C4' energy: -117.475 flat angles C4'-P-C4' energy: -118.272 flat angles P-C4'-P energy: -101.578 tors. eta vs tors. theta energy: -102.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -1347.572109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.572109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.572109 (E_RNA) where: Base-Base interactions energy: -874.215 where: short stacking energy: -383.302 Base-Backbone interact. energy: -1.153 local terms energy: -472.204459 where: bonds (distance) C4'-P energy: -108.395 bonds (distance) P-C4' energy: -86.028 flat angles C4'-P-C4' energy: -118.854 flat angles P-C4'-P energy: -69.742 tors. eta vs tors. theta energy: -89.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -1096.102518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.102518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.102518 (E_RNA) where: Base-Base interactions energy: -650.203 where: short stacking energy: -301.036 Base-Backbone interact. energy: -4.384 local terms energy: -441.516012 where: bonds (distance) C4'-P energy: -111.714 bonds (distance) P-C4' energy: -122.156 flat angles C4'-P-C4' energy: -108.808 flat angles P-C4'-P energy: -55.110 tors. eta vs tors. theta energy: -43.729 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: 15 Temperature: 0.900000 Total energy: -2487.280441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.280441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.280441 (E_RNA) where: Base-Base interactions energy: -1746.938 where: short stacking energy: -714.979 Base-Backbone interact. energy: -3.718 local terms energy: -736.624211 where: bonds (distance) C4'-P energy: -112.902 bonds (distance) P-C4' energy: -146.181 flat angles C4'-P-C4' energy: -154.084 flat angles P-C4'-P energy: -101.131 tors. eta vs tors. theta energy: -222.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -2349.993406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.993406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.993406 (E_RNA) where: Base-Base interactions energy: -1613.875 where: short stacking energy: -694.888 Base-Backbone interact. energy: -0.759 local terms energy: -735.359831 where: bonds (distance) C4'-P energy: -140.130 bonds (distance) P-C4' energy: -116.648 flat angles C4'-P-C4' energy: -154.612 flat angles P-C4'-P energy: -106.199 tors. eta vs tors. theta energy: -217.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -2265.104826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.104826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.104826 (E_RNA) where: Base-Base interactions energy: -1572.160 where: short stacking energy: -647.988 Base-Backbone interact. energy: -2.514 local terms energy: -690.431296 where: bonds (distance) C4'-P energy: -119.944 bonds (distance) P-C4' energy: -130.827 flat angles C4'-P-C4' energy: -154.231 flat angles P-C4'-P energy: -84.248 tors. eta vs tors. theta energy: -201.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -2233.180030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.180030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.180030 (E_RNA) where: Base-Base interactions energy: -1561.893 where: short stacking energy: -664.126 Base-Backbone interact. energy: -3.083 local terms energy: -668.204250 where: bonds (distance) C4'-P energy: -103.590 bonds (distance) P-C4' energy: -141.423 flat angles C4'-P-C4' energy: -141.751 flat angles P-C4'-P energy: -89.452 tors. eta vs tors. theta energy: -191.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -2064.069380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.069380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.069380 (E_RNA) where: Base-Base interactions energy: -1424.601 where: short stacking energy: -611.182 Base-Backbone interact. energy: -2.154 local terms energy: -637.315005 where: bonds (distance) C4'-P energy: -120.985 bonds (distance) P-C4' energy: -130.390 flat angles C4'-P-C4' energy: -145.967 flat angles P-C4'-P energy: -92.226 tors. eta vs tors. theta energy: -147.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1835.518603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.518603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.518603 (E_RNA) where: Base-Base interactions energy: -1262.974 where: short stacking energy: -520.842 Base-Backbone interact. energy: -2.526 local terms energy: -570.018348 where: bonds (distance) C4'-P energy: -105.415 bonds (distance) P-C4' energy: -109.138 flat angles C4'-P-C4' energy: -129.339 flat angles P-C4'-P energy: -87.166 tors. eta vs tors. theta energy: -138.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1780.503245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.503245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.503245 (E_RNA) where: Base-Base interactions energy: -1198.389 where: short stacking energy: -540.596 Base-Backbone interact. energy: 0.906 local terms energy: -583.019775 where: bonds (distance) C4'-P energy: -111.266 bonds (distance) P-C4' energy: -107.929 flat angles C4'-P-C4' energy: -125.200 flat angles P-C4'-P energy: -91.895 tors. eta vs tors. theta energy: -146.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1544.433138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.433138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.433138 (E_RNA) where: Base-Base interactions energy: -994.136 where: short stacking energy: -436.203 Base-Backbone interact. energy: 1.074 local terms energy: -551.370786 where: bonds (distance) C4'-P energy: -101.569 bonds (distance) P-C4' energy: -127.873 flat angles C4'-P-C4' energy: -121.028 flat angles P-C4'-P energy: -93.236 tors. eta vs tors. theta energy: -107.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -1289.536765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.536765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.536765 (E_RNA) where: Base-Base interactions energy: -799.671 where: short stacking energy: -346.146 Base-Backbone interact. energy: -0.939 local terms energy: -488.927453 where: bonds (distance) C4'-P energy: -105.750 bonds (distance) P-C4' energy: -137.407 flat angles C4'-P-C4' energy: -116.901 flat angles P-C4'-P energy: -49.542 tors. eta vs tors. theta energy: -79.328 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: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -1061.866735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.866735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.866735 (E_RNA) where: Base-Base interactions energy: -650.596 where: short stacking energy: -294.706 Base-Backbone interact. energy: 1.498 local terms energy: -412.768271 where: bonds (distance) C4'-P energy: -96.104 bonds (distance) P-C4' energy: -113.871 flat angles C4'-P-C4' energy: -110.063 flat angles P-C4'-P energy: -61.015 tors. eta vs tors. theta energy: -31.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2480.766171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.766171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.766171 (E_RNA) where: Base-Base interactions energy: -1727.624 where: short stacking energy: -749.173 Base-Backbone interact. energy: -3.771 local terms energy: -749.370728 where: bonds (distance) C4'-P energy: -121.226 bonds (distance) P-C4' energy: -130.942 flat angles C4'-P-C4' energy: -158.942 flat angles P-C4'-P energy: -110.129 tors. eta vs tors. theta energy: -228.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -2341.277899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.277899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.277899 (E_RNA) where: Base-Base interactions energy: -1626.229 where: short stacking energy: -708.785 Base-Backbone interact. energy: -3.143 local terms energy: -711.905925 where: bonds (distance) C4'-P energy: -116.624 bonds (distance) P-C4' energy: -135.615 flat angles C4'-P-C4' energy: -152.545 flat angles P-C4'-P energy: -97.785 tors. eta vs tors. theta energy: -209.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -2282.473522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.473522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.473522 (E_RNA) where: Base-Base interactions energy: -1589.815 where: short stacking energy: -666.050 Base-Backbone interact. energy: -0.964 local terms energy: -691.694620 where: bonds (distance) C4'-P energy: -128.110 bonds (distance) P-C4' energy: -127.229 flat angles C4'-P-C4' energy: -152.035 flat angles P-C4'-P energy: -101.802 tors. eta vs tors. theta energy: -182.519 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: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -2245.412106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.412106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.412106 (E_RNA) where: Base-Base interactions energy: -1554.701 where: short stacking energy: -644.427 Base-Backbone interact. energy: -3.607 local terms energy: -687.104114 where: bonds (distance) C4'-P energy: -118.982 bonds (distance) P-C4' energy: -130.004 flat angles C4'-P-C4' energy: -140.909 flat angles P-C4'-P energy: -102.028 tors. eta vs tors. theta energy: -195.181 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: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -2014.655888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.655888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.655888 (E_RNA) where: Base-Base interactions energy: -1384.447 where: short stacking energy: -562.954 Base-Backbone interact. energy: -1.737 local terms energy: -628.471366 where: bonds (distance) C4'-P energy: -97.759 bonds (distance) P-C4' energy: -135.425 flat angles C4'-P-C4' energy: -129.899 flat angles P-C4'-P energy: -91.267 tors. eta vs tors. theta energy: -174.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1871.850704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.850704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.850704 (E_RNA) where: Base-Base interactions energy: -1296.636 where: short stacking energy: -554.019 Base-Backbone interact. energy: -1.877 local terms energy: -573.337471 where: bonds (distance) C4'-P energy: -112.314 bonds (distance) P-C4' energy: -107.607 flat angles C4'-P-C4' energy: -134.350 flat angles P-C4'-P energy: -80.480 tors. eta vs tors. theta energy: -138.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1743.254798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.254798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.254798 (E_RNA) where: Base-Base interactions energy: -1153.264 where: short stacking energy: -499.280 Base-Backbone interact. energy: -0.492 local terms energy: -589.498924 where: bonds (distance) C4'-P energy: -121.286 bonds (distance) P-C4' energy: -120.750 flat angles C4'-P-C4' energy: -138.289 flat angles P-C4'-P energy: -81.289 tors. eta vs tors. theta energy: -127.885 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: 10 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1614.795231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.795231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.795231 (E_RNA) where: Base-Base interactions energy: -1106.856 where: short stacking energy: -490.845 Base-Backbone interact. energy: -2.352 local terms energy: -505.587013 where: bonds (distance) C4'-P energy: -98.752 bonds (distance) P-C4' energy: -110.889 flat angles C4'-P-C4' energy: -118.528 flat angles P-C4'-P energy: -67.974 tors. eta vs tors. theta energy: -109.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1305.411049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.411049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.411049 (E_RNA) where: Base-Base interactions energy: -833.827 where: short stacking energy: -373.625 Base-Backbone interact. energy: 3.362 local terms energy: -474.945698 where: bonds (distance) C4'-P energy: -93.791 bonds (distance) P-C4' energy: -114.411 flat angles C4'-P-C4' energy: -110.692 flat angles P-C4'-P energy: -71.149 tors. eta vs tors. theta energy: -84.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -1023.864799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.864799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.864799 (E_RNA) where: Base-Base interactions energy: -607.818 where: short stacking energy: -280.796 Base-Backbone interact. energy: 2.112 local terms energy: -418.158595 where: bonds (distance) C4'-P energy: -96.110 bonds (distance) P-C4' energy: -104.833 flat angles C4'-P-C4' energy: -99.403 flat angles P-C4'-P energy: -75.778 tors. eta vs tors. theta energy: -42.035 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: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2469.902012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.902012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.902012 (E_RNA) where: Base-Base interactions energy: -1712.298 where: short stacking energy: -721.681 Base-Backbone interact. energy: -5.288 local terms energy: -752.315755 where: bonds (distance) C4'-P energy: -128.460 bonds (distance) P-C4' energy: -139.287 flat angles C4'-P-C4' energy: -151.414 flat angles P-C4'-P energy: -106.526 tors. eta vs tors. theta energy: -226.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2354.524537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.524537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.524537 (E_RNA) where: Base-Base interactions energy: -1620.139 where: short stacking energy: -682.533 Base-Backbone interact. energy: -1.263 local terms energy: -733.122253 where: bonds (distance) C4'-P energy: -129.644 bonds (distance) P-C4' energy: -133.991 flat angles C4'-P-C4' energy: -161.088 flat angles P-C4'-P energy: -87.923 tors. eta vs tors. theta energy: -220.476 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: 5 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -2286.304234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.304234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.304234 (E_RNA) where: Base-Base interactions energy: -1586.353 where: short stacking energy: -663.310 Base-Backbone interact. energy: -2.151 local terms energy: -697.800165 where: bonds (distance) C4'-P energy: -129.148 bonds (distance) P-C4' energy: -124.377 flat angles C4'-P-C4' energy: -145.898 flat angles P-C4'-P energy: -98.100 tors. eta vs tors. theta energy: -200.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -2227.879717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.879717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.879717 (E_RNA) where: Base-Base interactions energy: -1532.473 where: short stacking energy: -649.511 Base-Backbone interact. energy: -2.537 local terms energy: -692.869408 where: bonds (distance) C4'-P energy: -129.665 bonds (distance) P-C4' energy: -131.311 flat angles C4'-P-C4' energy: -143.759 flat angles P-C4'-P energy: -88.180 tors. eta vs tors. theta energy: -199.954 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: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1992.134761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.134761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.134761 (E_RNA) where: Base-Base interactions energy: -1357.008 where: short stacking energy: -558.236 Base-Backbone interact. energy: -4.180 local terms energy: -630.946904 where: bonds (distance) C4'-P energy: -125.339 bonds (distance) P-C4' energy: -127.553 flat angles C4'-P-C4' energy: -145.623 flat angles P-C4'-P energy: -80.792 tors. eta vs tors. theta energy: -151.640 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: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1887.605770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.605770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.605770 (E_RNA) where: Base-Base interactions energy: -1301.702 where: short stacking energy: -581.986 Base-Backbone interact. energy: -0.441 local terms energy: -585.463456 where: bonds (distance) C4'-P energy: -113.714 bonds (distance) P-C4' energy: -126.281 flat angles C4'-P-C4' energy: -111.681 flat angles P-C4'-P energy: -85.874 tors. eta vs tors. theta energy: -147.914 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: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1728.384985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.384985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.384985 (E_RNA) where: Base-Base interactions energy: -1182.493 where: short stacking energy: -484.901 Base-Backbone interact. energy: 0.857 local terms energy: -546.749222 where: bonds (distance) C4'-P energy: -117.708 bonds (distance) P-C4' energy: -111.065 flat angles C4'-P-C4' energy: -122.672 flat angles P-C4'-P energy: -70.591 tors. eta vs tors. theta energy: -124.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1551.961420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.961420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.961420 (E_RNA) where: Base-Base interactions energy: -1035.715 where: short stacking energy: -447.615 Base-Backbone interact. energy: -1.692 local terms energy: -514.554260 where: bonds (distance) C4'-P energy: -87.080 bonds (distance) P-C4' energy: -113.709 flat angles C4'-P-C4' energy: -118.773 flat angles P-C4'-P energy: -85.236 tors. eta vs tors. theta energy: -109.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1282.821817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.821817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.821817 (E_RNA) where: Base-Base interactions energy: -837.417 where: short stacking energy: -360.611 Base-Backbone interact. energy: 0.504 local terms energy: -445.908734 where: bonds (distance) C4'-P energy: -103.647 bonds (distance) P-C4' energy: -106.299 flat angles C4'-P-C4' energy: -102.615 flat angles P-C4'-P energy: -59.911 tors. eta vs tors. theta energy: -73.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -1038.706443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.706443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.706443 (E_RNA) where: Base-Base interactions energy: -641.799 where: short stacking energy: -297.227 Base-Backbone interact. energy: -1.357 local terms energy: -395.550054 where: bonds (distance) C4'-P energy: -85.489 bonds (distance) P-C4' energy: -98.344 flat angles C4'-P-C4' energy: -111.552 flat angles P-C4'-P energy: -73.568 tors. eta vs tors. theta energy: -26.598 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: 1, replica: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2461.410472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.410472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.410472 (E_RNA) where: Base-Base interactions energy: -1712.746 where: short stacking energy: -727.330 Base-Backbone interact. energy: -0.006 local terms energy: -748.658111 where: bonds (distance) C4'-P energy: -127.922 bonds (distance) P-C4' energy: -145.647 flat angles C4'-P-C4' energy: -155.787 flat angles P-C4'-P energy: -105.780 tors. eta vs tors. theta energy: -213.523 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: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -2352.535978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.535978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.535978 (E_RNA) where: Base-Base interactions energy: -1637.298 where: short stacking energy: -681.498 Base-Backbone interact. energy: -3.900 local terms energy: -711.337450 where: bonds (distance) C4'-P energy: -128.955 bonds (distance) P-C4' energy: -132.608 flat angles C4'-P-C4' energy: -141.083 flat angles P-C4'-P energy: -101.155 tors. eta vs tors. theta energy: -207.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -2301.008793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.008793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.008793 (E_RNA) where: Base-Base interactions energy: -1629.864 where: short stacking energy: -696.512 Base-Backbone interact. energy: -1.273 local terms energy: -669.871869 where: bonds (distance) C4'-P energy: -115.275 bonds (distance) P-C4' energy: -116.973 flat angles C4'-P-C4' energy: -134.837 flat angles P-C4'-P energy: -105.640 tors. eta vs tors. theta energy: -197.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -2178.897806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.897806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.897806 (E_RNA) where: Base-Base interactions energy: -1504.605 where: short stacking energy: -643.198 Base-Backbone interact. energy: -1.211 local terms energy: -673.081664 where: bonds (distance) C4'-P energy: -104.896 bonds (distance) P-C4' energy: -136.435 flat angles C4'-P-C4' energy: -147.865 flat angles P-C4'-P energy: -96.970 tors. eta vs tors. theta energy: -186.916 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: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -2031.569882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.569882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.569882 (E_RNA) where: Base-Base interactions energy: -1445.997 where: short stacking energy: -604.193 Base-Backbone interact. energy: -0.070 local terms energy: -585.503000 where: bonds (distance) C4'-P energy: -106.260 bonds (distance) P-C4' energy: -121.221 flat angles C4'-P-C4' energy: -111.494 flat angles P-C4'-P energy: -87.410 tors. eta vs tors. theta energy: -159.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1860.256211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.256211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.256211 (E_RNA) where: Base-Base interactions energy: -1266.973 where: short stacking energy: -542.069 Base-Backbone interact. energy: -1.077 local terms energy: -592.206233 where: bonds (distance) C4'-P energy: -107.737 bonds (distance) P-C4' energy: -104.634 flat angles C4'-P-C4' energy: -145.271 flat angles P-C4'-P energy: -95.717 tors. eta vs tors. theta energy: -138.848 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: 7 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1728.629087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.629087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.629087 (E_RNA) where: Base-Base interactions energy: -1183.420 where: short stacking energy: -481.007 Base-Backbone interact. energy: 2.278 local terms energy: -547.487518 where: bonds (distance) C4'-P energy: -115.206 bonds (distance) P-C4' energy: -93.765 flat angles C4'-P-C4' energy: -129.692 flat angles P-C4'-P energy: -86.431 tors. eta vs tors. theta energy: -122.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1519.672172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.672172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.672172 (E_RNA) where: Base-Base interactions energy: -1021.991 where: short stacking energy: -457.093 Base-Backbone interact. energy: -0.056 local terms energy: -497.625123 where: bonds (distance) C4'-P energy: -109.346 bonds (distance) P-C4' energy: -94.485 flat angles C4'-P-C4' energy: -123.422 flat angles P-C4'-P energy: -71.218 tors. eta vs tors. theta energy: -99.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1289.788881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.788881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.788881 (E_RNA) where: Base-Base interactions energy: -847.675 where: short stacking energy: -374.328 Base-Backbone interact. energy: -0.834 local terms energy: -441.279623 where: bonds (distance) C4'-P energy: -112.464 bonds (distance) P-C4' energy: -104.500 flat angles C4'-P-C4' energy: -93.521 flat angles P-C4'-P energy: -68.651 tors. eta vs tors. theta energy: -62.143 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: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -1081.667372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.667372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.667372 (E_RNA) where: Base-Base interactions energy: -682.979 where: short stacking energy: -303.079 Base-Backbone interact. energy: -2.757 local terms energy: -395.931043 where: bonds (distance) C4'-P energy: -97.293 bonds (distance) P-C4' energy: -100.444 flat angles C4'-P-C4' energy: -97.470 flat angles P-C4'-P energy: -67.316 tors. eta vs tors. theta energy: -33.408 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: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2457.191897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.191897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.191897 (E_RNA) where: Base-Base interactions energy: -1726.822 where: short stacking energy: -721.567 Base-Backbone interact. energy: -1.715 local terms energy: -728.654988 where: bonds (distance) C4'-P energy: -128.684 bonds (distance) P-C4' energy: -127.988 flat angles C4'-P-C4' energy: -161.234 flat angles P-C4'-P energy: -100.294 tors. eta vs tors. theta energy: -210.455 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: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2372.642813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.642813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.642813 (E_RNA) where: Base-Base interactions energy: -1669.377 where: short stacking energy: -704.476 Base-Backbone interact. energy: -2.303 local terms energy: -700.962179 where: bonds (distance) C4'-P energy: -132.380 bonds (distance) P-C4' energy: -130.632 flat angles C4'-P-C4' energy: -139.310 flat angles P-C4'-P energy: -101.229 tors. eta vs tors. theta energy: -197.411 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: 5 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -2253.287913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.287913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.287913 (E_RNA) where: Base-Base interactions energy: -1580.924 where: short stacking energy: -632.307 Base-Backbone interact. energy: 1.643 local terms energy: -674.007200 where: bonds (distance) C4'-P energy: -134.931 bonds (distance) P-C4' energy: -117.510 flat angles C4'-P-C4' energy: -140.007 flat angles P-C4'-P energy: -97.930 tors. eta vs tors. theta energy: -183.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -2179.083441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.083441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.083441 (E_RNA) where: Base-Base interactions energy: -1495.099 where: short stacking energy: -643.003 Base-Backbone interact. energy: -2.551 local terms energy: -681.433365 where: bonds (distance) C4'-P energy: -111.161 bonds (distance) P-C4' energy: -127.870 flat angles C4'-P-C4' energy: -151.459 flat angles P-C4'-P energy: -99.502 tors. eta vs tors. theta energy: -191.441 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: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -2035.494303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.494303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.494303 (E_RNA) where: Base-Base interactions energy: -1427.153 where: short stacking energy: -575.680 Base-Backbone interact. energy: -2.631 local terms energy: -605.709902 where: bonds (distance) C4'-P energy: -116.857 bonds (distance) P-C4' energy: -106.965 flat angles C4'-P-C4' energy: -133.291 flat angles P-C4'-P energy: -83.605 tors. eta vs tors. theta energy: -164.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1856.930891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.930891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.930891 (E_RNA) where: Base-Base interactions energy: -1280.872 where: short stacking energy: -534.556 Base-Backbone interact. energy: -2.962 local terms energy: -573.096210 where: bonds (distance) C4'-P energy: -101.090 bonds (distance) P-C4' energy: -115.393 flat angles C4'-P-C4' energy: -123.693 flat angles P-C4'-P energy: -103.386 tors. eta vs tors. theta energy: -129.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1789.386257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.386257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.386257 (E_RNA) where: Base-Base interactions energy: -1238.018 where: short stacking energy: -505.130 Base-Backbone interact. energy: -1.419 local terms energy: -549.949096 where: bonds (distance) C4'-P energy: -116.974 bonds (distance) P-C4' energy: -101.292 flat angles C4'-P-C4' energy: -124.406 flat angles P-C4'-P energy: -83.368 tors. eta vs tors. theta energy: -123.909 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: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1571.765528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.765528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.765528 (E_RNA) where: Base-Base interactions energy: -1041.920 where: short stacking energy: -453.291 Base-Backbone interact. energy: 2.378 local terms energy: -532.223415 where: bonds (distance) C4'-P energy: -112.703 bonds (distance) P-C4' energy: -114.539 flat angles C4'-P-C4' energy: -140.296 flat angles P-C4'-P energy: -58.944 tors. eta vs tors. theta energy: -105.741 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: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1357.771749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.771749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.771749 (E_RNA) where: Base-Base interactions energy: -885.352 where: short stacking energy: -392.332 Base-Backbone interact. energy: -2.905 local terms energy: -469.514880 where: bonds (distance) C4'-P energy: -105.597 bonds (distance) P-C4' energy: -101.445 flat angles C4'-P-C4' energy: -115.516 flat angles P-C4'-P energy: -52.474 tors. eta vs tors. theta energy: -94.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -1026.309229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.309229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.309229 (E_RNA) where: Base-Base interactions energy: -617.957 where: short stacking energy: -294.565 Base-Backbone interact. energy: 7.035 local terms energy: -415.387487 where: bonds (distance) C4'-P energy: -89.659 bonds (distance) P-C4' energy: -111.157 flat angles C4'-P-C4' energy: -102.908 flat angles P-C4'-P energy: -77.952 tors. eta vs tors. theta energy: -33.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2439.959791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.959791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.959791 (E_RNA) where: Base-Base interactions energy: -1703.034 where: short stacking energy: -695.684 Base-Backbone interact. energy: -3.945 local terms energy: -732.981320 where: bonds (distance) C4'-P energy: -138.846 bonds (distance) P-C4' energy: -125.776 flat angles C4'-P-C4' energy: -157.598 flat angles P-C4'-P energy: -102.463 tors. eta vs tors. theta energy: -208.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2359.894980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.894980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.894980 (E_RNA) where: Base-Base interactions energy: -1644.844 where: short stacking energy: -686.755 Base-Backbone interact. energy: -2.029 local terms energy: -713.022757 where: bonds (distance) C4'-P energy: -124.547 bonds (distance) P-C4' energy: -132.331 flat angles C4'-P-C4' energy: -156.507 flat angles P-C4'-P energy: -108.165 tors. eta vs tors. theta energy: -191.472 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: 5 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -2274.971042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.971042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.971042 (E_RNA) where: Base-Base interactions energy: -1607.092 where: short stacking energy: -693.667 Base-Backbone interact. energy: 0.947 local terms energy: -668.825352 where: bonds (distance) C4'-P energy: -109.165 bonds (distance) P-C4' energy: -130.764 flat angles C4'-P-C4' energy: -146.409 flat angles P-C4'-P energy: -92.154 tors. eta vs tors. theta energy: -190.334 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: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -2188.606085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.606085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.606085 (E_RNA) where: Base-Base interactions energy: -1512.504 where: short stacking energy: -638.203 Base-Backbone interact. energy: -3.023 local terms energy: -673.079365 where: bonds (distance) C4'-P energy: -118.868 bonds (distance) P-C4' energy: -118.515 flat angles C4'-P-C4' energy: -147.229 flat angles P-C4'-P energy: -91.477 tors. eta vs tors. theta energy: -196.990 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: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1987.008681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.008681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.008681 (E_RNA) where: Base-Base interactions energy: -1350.292 where: short stacking energy: -562.322 Base-Backbone interact. energy: -4.602 local terms energy: -632.114261 where: bonds (distance) C4'-P energy: -126.816 bonds (distance) P-C4' energy: -128.336 flat angles C4'-P-C4' energy: -130.108 flat angles P-C4'-P energy: -82.932 tors. eta vs tors. theta energy: -163.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1896.217298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.217298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.217298 (E_RNA) where: Base-Base interactions energy: -1279.162 where: short stacking energy: -526.568 Base-Backbone interact. energy: -2.094 local terms energy: -614.961279 where: bonds (distance) C4'-P energy: -118.268 bonds (distance) P-C4' energy: -126.573 flat angles C4'-P-C4' energy: -140.741 flat angles P-C4'-P energy: -93.405 tors. eta vs tors. theta energy: -135.973 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: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1703.898496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.898496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.898496 (E_RNA) where: Base-Base interactions energy: -1164.809 where: short stacking energy: -496.188 Base-Backbone interact. energy: -1.337 local terms energy: -537.753164 where: bonds (distance) C4'-P energy: -97.461 bonds (distance) P-C4' energy: -103.504 flat angles C4'-P-C4' energy: -120.791 flat angles P-C4'-P energy: -97.270 tors. eta vs tors. theta energy: -118.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1518.632218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.632218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.632218 (E_RNA) where: Base-Base interactions energy: -1021.383 where: short stacking energy: -416.971 Base-Backbone interact. energy: -1.158 local terms energy: -496.090677 where: bonds (distance) C4'-P energy: -106.302 bonds (distance) P-C4' energy: -91.924 flat angles C4'-P-C4' energy: -118.459 flat angles P-C4'-P energy: -74.558 tors. eta vs tors. theta energy: -104.847 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: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1347.963747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.963747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.963747 (E_RNA) where: Base-Base interactions energy: -870.792 where: short stacking energy: -412.595 Base-Backbone interact. energy: -2.633 local terms energy: -474.538909 where: bonds (distance) C4'-P energy: -115.636 bonds (distance) P-C4' energy: -108.860 flat angles C4'-P-C4' energy: -90.931 flat angles P-C4'-P energy: -77.144 tors. eta vs tors. theta energy: -81.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -1012.320147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.320147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.320147 (E_RNA) where: Base-Base interactions energy: -590.104 where: short stacking energy: -268.024 Base-Backbone interact. energy: 3.099 local terms energy: -425.315715 where: bonds (distance) C4'-P energy: -115.658 bonds (distance) P-C4' energy: -96.491 flat angles C4'-P-C4' energy: -95.991 flat angles P-C4'-P energy: -83.273 tors. eta vs tors. theta energy: -33.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2436.342701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.342701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.342701 (E_RNA) where: Base-Base interactions energy: -1711.758 where: short stacking energy: -725.079 Base-Backbone interact. energy: -1.617 local terms energy: -722.967528 where: bonds (distance) C4'-P energy: -130.488 bonds (distance) P-C4' energy: -124.617 flat angles C4'-P-C4' energy: -149.424 flat angles P-C4'-P energy: -99.938 tors. eta vs tors. theta energy: -218.501 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: 2 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2382.097216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.097216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.097216 (E_RNA) where: Base-Base interactions energy: -1645.784 where: short stacking energy: -696.184 Base-Backbone interact. energy: -0.734 local terms energy: -735.578720 where: bonds (distance) C4'-P energy: -140.034 bonds (distance) P-C4' energy: -135.864 flat angles C4'-P-C4' energy: -155.414 flat angles P-C4'-P energy: -108.430 tors. eta vs tors. theta energy: -195.838 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: 5 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -2297.280754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.280754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.280754 (E_RNA) where: Base-Base interactions energy: -1597.590 where: short stacking energy: -654.891 Base-Backbone interact. energy: -0.450 local terms energy: -699.240663 where: bonds (distance) C4'-P energy: -115.200 bonds (distance) P-C4' energy: -144.992 flat angles C4'-P-C4' energy: -144.998 flat angles P-C4'-P energy: -108.052 tors. eta vs tors. theta energy: -185.998 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: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -2143.052036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.052036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.052036 (E_RNA) where: Base-Base interactions energy: -1490.874 where: short stacking energy: -656.337 Base-Backbone interact. energy: -3.726 local terms energy: -648.451118 where: bonds (distance) C4'-P energy: -104.118 bonds (distance) P-C4' energy: -122.421 flat angles C4'-P-C4' energy: -139.425 flat angles P-C4'-P energy: -99.707 tors. eta vs tors. theta energy: -182.780 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: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -2028.729219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.729219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.729219 (E_RNA) where: Base-Base interactions energy: -1391.785 where: short stacking energy: -584.074 Base-Backbone interact. energy: -3.376 local terms energy: -633.568031 where: bonds (distance) C4'-P energy: -120.218 bonds (distance) P-C4' energy: -126.442 flat angles C4'-P-C4' energy: -128.257 flat angles P-C4'-P energy: -95.865 tors. eta vs tors. theta energy: -162.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1910.777491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.777491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.777491 (E_RNA) where: Base-Base interactions energy: -1321.989 where: short stacking energy: -546.748 Base-Backbone interact. energy: -0.954 local terms energy: -587.834655 where: bonds (distance) C4'-P energy: -114.096 bonds (distance) P-C4' energy: -111.301 flat angles C4'-P-C4' energy: -142.072 flat angles P-C4'-P energy: -72.554 tors. eta vs tors. theta energy: -147.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1798.122786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.122786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.122786 (E_RNA) where: Base-Base interactions energy: -1242.406 where: short stacking energy: -520.054 Base-Backbone interact. energy: 1.450 local terms energy: -557.166538 where: bonds (distance) C4'-P energy: -91.804 bonds (distance) P-C4' energy: -114.996 flat angles C4'-P-C4' energy: -137.744 flat angles P-C4'-P energy: -84.768 tors. eta vs tors. theta energy: -127.854 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: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1501.908389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.908389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.908389 (E_RNA) where: Base-Base interactions energy: -973.043 where: short stacking energy: -427.260 Base-Backbone interact. energy: -1.333 local terms energy: -527.532431 where: bonds (distance) C4'-P energy: -110.284 bonds (distance) P-C4' energy: -127.601 flat angles C4'-P-C4' energy: -120.284 flat angles P-C4'-P energy: -61.979 tors. eta vs tors. theta energy: -107.385 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: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1386.433524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.433524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.433524 (E_RNA) where: Base-Base interactions energy: -900.231 where: short stacking energy: -394.742 Base-Backbone interact. energy: -1.992 local terms energy: -484.210731 where: bonds (distance) C4'-P energy: -110.354 bonds (distance) P-C4' energy: -91.149 flat angles C4'-P-C4' energy: -116.762 flat angles P-C4'-P energy: -77.166 tors. eta vs tors. theta energy: -88.779 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: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -1059.005510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.005510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.005510 (E_RNA) where: Base-Base interactions energy: -625.677 where: short stacking energy: -280.537 Base-Backbone interact. energy: -5.466 local terms energy: -427.862527 where: bonds (distance) C4'-P energy: -108.706 bonds (distance) P-C4' energy: -120.014 flat angles C4'-P-C4' energy: -103.834 flat angles P-C4'-P energy: -65.897 tors. eta vs tors. theta energy: -29.412 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: 22 Temperature: 0.900000 Total energy: -2435.691586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.691586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.691586 (E_RNA) where: Base-Base interactions energy: -1719.606 where: short stacking energy: -705.723 Base-Backbone interact. energy: -1.716 local terms energy: -714.369308 where: bonds (distance) C4'-P energy: -129.147 bonds (distance) P-C4' energy: -132.354 flat angles C4'-P-C4' energy: -148.080 flat angles P-C4'-P energy: -91.976 tors. eta vs tors. theta energy: -212.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2402.438776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.438776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.438776 (E_RNA) where: Base-Base interactions energy: -1678.869 where: short stacking energy: -704.218 Base-Backbone interact. energy: -0.573 local terms energy: -722.996771 where: bonds (distance) C4'-P energy: -133.720 bonds (distance) P-C4' energy: -122.347 flat angles C4'-P-C4' energy: -146.788 flat angles P-C4'-P energy: -103.116 tors. eta vs tors. theta energy: -217.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -2282.364277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.364277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.364277 (E_RNA) where: Base-Base interactions energy: -1609.413 where: short stacking energy: -664.229 Base-Backbone interact. energy: -0.747 local terms energy: -672.204718 where: bonds (distance) C4'-P energy: -137.140 bonds (distance) P-C4' energy: -120.304 flat angles C4'-P-C4' energy: -130.627 flat angles P-C4'-P energy: -106.758 tors. eta vs tors. theta energy: -177.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -2150.129796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.129796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.129796 (E_RNA) where: Base-Base interactions energy: -1455.124 where: short stacking energy: -647.548 Base-Backbone interact. energy: -0.591 local terms energy: -694.414990 where: bonds (distance) C4'-P energy: -122.139 bonds (distance) P-C4' energy: -143.303 flat angles C4'-P-C4' energy: -143.502 flat angles P-C4'-P energy: -97.886 tors. eta vs tors. theta energy: -187.585 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: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1999.702429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.702429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.702429 (E_RNA) where: Base-Base interactions energy: -1375.662 where: short stacking energy: -572.106 Base-Backbone interact. energy: -0.504 local terms energy: -623.536474 where: bonds (distance) C4'-P energy: -115.798 bonds (distance) P-C4' energy: -128.362 flat angles C4'-P-C4' energy: -132.607 flat angles P-C4'-P energy: -85.311 tors. eta vs tors. theta energy: -161.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1938.801658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.801658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.801658 (E_RNA) where: Base-Base interactions energy: -1336.124 where: short stacking energy: -548.658 Base-Backbone interact. energy: -0.853 local terms energy: -601.824537 where: bonds (distance) C4'-P energy: -112.289 bonds (distance) P-C4' energy: -118.713 flat angles C4'-P-C4' energy: -130.459 flat angles P-C4'-P energy: -82.346 tors. eta vs tors. theta energy: -158.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1801.137673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.137673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.137673 (E_RNA) where: Base-Base interactions energy: -1236.581 where: short stacking energy: -536.257 Base-Backbone interact. energy: -2.698 local terms energy: -561.858688 where: bonds (distance) C4'-P energy: -111.319 bonds (distance) P-C4' energy: -107.822 flat angles C4'-P-C4' energy: -128.842 flat angles P-C4'-P energy: -80.475 tors. eta vs tors. theta energy: -133.401 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: 22 Temperature: 1.250000 Total energy: -1490.633228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.633228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.633228 (E_RNA) where: Base-Base interactions energy: -1001.464 where: short stacking energy: -445.776 Base-Backbone interact. energy: -2.311 local terms energy: -486.858329 where: bonds (distance) C4'-P energy: -102.352 bonds (distance) P-C4' energy: -112.402 flat angles C4'-P-C4' energy: -98.750 flat angles P-C4'-P energy: -79.551 tors. eta vs tors. theta energy: -93.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1379.559404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.559404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.559404 (E_RNA) where: Base-Base interactions energy: -915.271 where: short stacking energy: -407.443 Base-Backbone interact. energy: 0.008 local terms energy: -464.296192 where: bonds (distance) C4'-P energy: -113.179 bonds (distance) P-C4' energy: -76.668 flat angles C4'-P-C4' energy: -112.358 flat angles P-C4'-P energy: -67.765 tors. eta vs tors. theta energy: -94.327 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: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -1020.156684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.156684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.156684 (E_RNA) where: Base-Base interactions energy: -625.426 where: short stacking energy: -283.763 Base-Backbone interact. energy: -0.052 local terms energy: -394.679532 where: bonds (distance) C4'-P energy: -110.782 bonds (distance) P-C4' energy: -103.605 flat angles C4'-P-C4' energy: -112.698 flat angles P-C4'-P energy: -36.251 tors. eta vs tors. theta energy: -31.343 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: 23 Temperature: 0.900000 Total energy: -2465.564110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.564110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.564110 (E_RNA) where: Base-Base interactions energy: -1722.224 where: short stacking energy: -714.947 Base-Backbone interact. energy: -4.575 local terms energy: -738.765106 where: bonds (distance) C4'-P energy: -134.282 bonds (distance) P-C4' energy: -142.987 flat angles C4'-P-C4' energy: -157.459 flat angles P-C4'-P energy: -97.107 tors. eta vs tors. theta energy: -206.931 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: 1 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2363.699744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.699744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.699744 (E_RNA) where: Base-Base interactions energy: -1634.966 where: short stacking energy: -670.918 Base-Backbone interact. energy: -5.129 local terms energy: -723.604964 where: bonds (distance) C4'-P energy: -131.513 bonds (distance) P-C4' energy: -145.578 flat angles C4'-P-C4' energy: -149.436 flat angles P-C4'-P energy: -97.898 tors. eta vs tors. theta energy: -199.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -2265.463561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.463561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.463561 (E_RNA) where: Base-Base interactions energy: -1588.576 where: short stacking energy: -660.381 Base-Backbone interact. energy: 1.343 local terms energy: -678.230248 where: bonds (distance) C4'-P energy: -119.954 bonds (distance) P-C4' energy: -137.711 flat angles C4'-P-C4' energy: -130.343 flat angles P-C4'-P energy: -102.216 tors. eta vs tors. theta energy: -188.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -2150.163740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.163740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.163740 (E_RNA) where: Base-Base interactions energy: -1489.898 where: short stacking energy: -658.981 Base-Backbone interact. energy: -3.282 local terms energy: -656.983833 where: bonds (distance) C4'-P energy: -100.412 bonds (distance) P-C4' energy: -132.983 flat angles C4'-P-C4' energy: -144.944 flat angles P-C4'-P energy: -101.012 tors. eta vs tors. theta energy: -177.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -2072.641699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.641699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.641699 (E_RNA) where: Base-Base interactions energy: -1442.038 where: short stacking energy: -615.184 Base-Backbone interact. energy: 1.032 local terms energy: -631.635701 where: bonds (distance) C4'-P energy: -98.234 bonds (distance) P-C4' energy: -128.506 flat angles C4'-P-C4' energy: -132.976 flat angles P-C4'-P energy: -88.555 tors. eta vs tors. theta energy: -183.364 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: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1891.242121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.242121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.242121 (E_RNA) where: Base-Base interactions energy: -1274.693 where: short stacking energy: -545.662 Base-Backbone interact. energy: -1.087 local terms energy: -615.461536 where: bonds (distance) C4'-P energy: -121.406 bonds (distance) P-C4' energy: -122.994 flat angles C4'-P-C4' energy: -122.246 flat angles P-C4'-P energy: -94.508 tors. eta vs tors. theta energy: -154.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1793.909412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.909412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.909412 (E_RNA) where: Base-Base interactions energy: -1229.502 where: short stacking energy: -519.599 Base-Backbone interact. energy: 8.123 local terms energy: -572.530795 where: bonds (distance) C4'-P energy: -114.138 bonds (distance) P-C4' energy: -126.380 flat angles C4'-P-C4' energy: -116.729 flat angles P-C4'-P energy: -72.146 tors. eta vs tors. theta energy: -143.138 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: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1529.217863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.217863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.217863 (E_RNA) where: Base-Base interactions energy: -1021.517 where: short stacking energy: -432.985 Base-Backbone interact. energy: 4.205 local terms energy: -511.905406 where: bonds (distance) C4'-P energy: -120.023 bonds (distance) P-C4' energy: -109.243 flat angles C4'-P-C4' energy: -114.208 flat angles P-C4'-P energy: -61.189 tors. eta vs tors. theta energy: -107.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1420.725088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.725088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.725088 (E_RNA) where: Base-Base interactions energy: -926.022 where: short stacking energy: -421.332 Base-Backbone interact. energy: -0.472 local terms energy: -494.230608 where: bonds (distance) C4'-P energy: -108.913 bonds (distance) P-C4' energy: -84.845 flat angles C4'-P-C4' energy: -119.791 flat angles P-C4'-P energy: -80.516 tors. eta vs tors. theta energy: -100.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -989.589771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.589771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.589771 (E_RNA) where: Base-Base interactions energy: -596.617 where: short stacking energy: -307.082 Base-Backbone interact. energy: -3.526 local terms energy: -389.446814 where: bonds (distance) C4'-P energy: -89.709 bonds (distance) P-C4' energy: -104.530 flat angles C4'-P-C4' energy: -89.052 flat angles P-C4'-P energy: -60.088 tors. eta vs tors. theta energy: -46.067 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: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2463.507037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.507037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.507037 (E_RNA) where: Base-Base interactions energy: -1725.502 where: short stacking energy: -724.399 Base-Backbone interact. energy: -4.375 local terms energy: -733.629880 where: bonds (distance) C4'-P energy: -127.729 bonds (distance) P-C4' energy: -133.232 flat angles C4'-P-C4' energy: -147.065 flat angles P-C4'-P energy: -111.157 tors. eta vs tors. theta energy: -214.446 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: 1 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2373.075550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.075550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.075550 (E_RNA) where: Base-Base interactions energy: -1679.290 where: short stacking energy: -697.117 Base-Backbone interact. energy: -5.508 local terms energy: -688.277380 where: bonds (distance) C4'-P energy: -118.984 bonds (distance) P-C4' energy: -114.012 flat angles C4'-P-C4' energy: -151.305 flat angles P-C4'-P energy: -100.790 tors. eta vs tors. theta energy: -203.186 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: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2262.254203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.254203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.254203 (E_RNA) where: Base-Base interactions energy: -1565.259 where: short stacking energy: -644.486 Base-Backbone interact. energy: -3.024 local terms energy: -693.970952 where: bonds (distance) C4'-P energy: -122.602 bonds (distance) P-C4' energy: -129.412 flat angles C4'-P-C4' energy: -149.781 flat angles P-C4'-P energy: -98.341 tors. eta vs tors. theta energy: -193.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -2159.673220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.673220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.673220 (E_RNA) where: Base-Base interactions energy: -1474.476 where: short stacking energy: -642.475 Base-Backbone interact. energy: -0.493 local terms energy: -684.704829 where: bonds (distance) C4'-P energy: -120.459 bonds (distance) P-C4' energy: -121.358 flat angles C4'-P-C4' energy: -147.198 flat angles P-C4'-P energy: -98.579 tors. eta vs tors. theta energy: -197.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -2018.570617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.570617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.570617 (E_RNA) where: Base-Base interactions energy: -1401.144 where: short stacking energy: -585.283 Base-Backbone interact. energy: -1.733 local terms energy: -615.693439 where: bonds (distance) C4'-P energy: -115.924 bonds (distance) P-C4' energy: -105.253 flat angles C4'-P-C4' energy: -145.091 flat angles P-C4'-P energy: -82.453 tors. eta vs tors. theta energy: -166.972 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: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1914.724104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.724104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.724104 (E_RNA) where: Base-Base interactions energy: -1321.576 where: short stacking energy: -557.892 Base-Backbone interact. energy: 1.432 local terms energy: -594.580098 where: bonds (distance) C4'-P energy: -117.701 bonds (distance) P-C4' energy: -115.718 flat angles C4'-P-C4' energy: -125.412 flat angles P-C4'-P energy: -88.861 tors. eta vs tors. theta energy: -146.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1805.208619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.208619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.208619 (E_RNA) where: Base-Base interactions energy: -1239.024 where: short stacking energy: -561.983 Base-Backbone interact. energy: 0.622 local terms energy: -566.806993 where: bonds (distance) C4'-P energy: -110.496 bonds (distance) P-C4' energy: -112.853 flat angles C4'-P-C4' energy: -126.081 flat angles P-C4'-P energy: -71.745 tors. eta vs tors. theta energy: -145.633 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: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1504.872360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.872360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.872360 (E_RNA) where: Base-Base interactions energy: -1000.773 where: short stacking energy: -443.198 Base-Backbone interact. energy: -1.061 local terms energy: -503.038300 where: bonds (distance) C4'-P energy: -100.143 bonds (distance) P-C4' energy: -97.899 flat angles C4'-P-C4' energy: -144.795 flat angles P-C4'-P energy: -66.535 tors. eta vs tors. theta energy: -93.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1416.206324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.206324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.206324 (E_RNA) where: Base-Base interactions energy: -921.457 where: short stacking energy: -414.937 Base-Backbone interact. energy: -1.790 local terms energy: -492.959291 where: bonds (distance) C4'-P energy: -84.871 bonds (distance) P-C4' energy: -105.273 flat angles C4'-P-C4' energy: -139.520 flat angles P-C4'-P energy: -71.771 tors. eta vs tors. theta energy: -91.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -967.847896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.847896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.847896 (E_RNA) where: Base-Base interactions energy: -573.153 where: short stacking energy: -283.652 Base-Backbone interact. energy: 3.675 local terms energy: -398.370661 where: bonds (distance) C4'-P energy: -97.860 bonds (distance) P-C4' energy: -110.038 flat angles C4'-P-C4' energy: -94.595 flat angles P-C4'-P energy: -60.120 tors. eta vs tors. theta energy: -35.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2398.246315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.246315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.246315 (E_RNA) where: Base-Base interactions energy: -1680.132 where: short stacking energy: -717.880 Base-Backbone interact. energy: -1.139 local terms energy: -716.974716 where: bonds (distance) C4'-P energy: -128.550 bonds (distance) P-C4' energy: -129.620 flat angles C4'-P-C4' energy: -148.742 flat angles P-C4'-P energy: -101.750 tors. eta vs tors. theta energy: -208.314 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: 1 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2386.133151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.133151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.133151 (E_RNA) where: Base-Base interactions energy: -1662.148 where: short stacking energy: -712.222 Base-Backbone interact. energy: -3.171 local terms energy: -720.814244 where: bonds (distance) C4'-P energy: -130.144 bonds (distance) P-C4' energy: -120.500 flat angles C4'-P-C4' energy: -154.948 flat angles P-C4'-P energy: -104.934 tors. eta vs tors. theta energy: -210.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2297.265292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.265292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.265292 (E_RNA) where: Base-Base interactions energy: -1605.964 where: short stacking energy: -673.837 Base-Backbone interact. energy: -1.454 local terms energy: -689.847756 where: bonds (distance) C4'-P energy: -112.684 bonds (distance) P-C4' energy: -125.360 flat angles C4'-P-C4' energy: -133.078 flat angles P-C4'-P energy: -114.399 tors. eta vs tors. theta energy: -204.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -2193.063163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.063163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.063163 (E_RNA) where: Base-Base interactions energy: -1545.952 where: short stacking energy: -676.869 Base-Backbone interact. energy: -1.260 local terms energy: -645.850843 where: bonds (distance) C4'-P energy: -97.410 bonds (distance) P-C4' energy: -114.199 flat angles C4'-P-C4' energy: -140.776 flat angles P-C4'-P energy: -94.649 tors. eta vs tors. theta energy: -198.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -2030.051427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.051427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.051427 (E_RNA) where: Base-Base interactions energy: -1414.623 where: short stacking energy: -583.494 Base-Backbone interact. energy: -1.713 local terms energy: -613.715973 where: bonds (distance) C4'-P energy: -110.324 bonds (distance) P-C4' energy: -116.608 flat angles C4'-P-C4' energy: -133.460 flat angles P-C4'-P energy: -85.135 tors. eta vs tors. theta energy: -168.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1939.758649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.758649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.758649 (E_RNA) where: Base-Base interactions energy: -1300.689 where: short stacking energy: -567.493 Base-Backbone interact. energy: -2.497 local terms energy: -636.572373 where: bonds (distance) C4'-P energy: -109.384 bonds (distance) P-C4' energy: -122.775 flat angles C4'-P-C4' energy: -141.446 flat angles P-C4'-P energy: -102.059 tors. eta vs tors. theta energy: -160.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1811.424645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.424645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.424645 (E_RNA) where: Base-Base interactions energy: -1256.174 where: short stacking energy: -534.163 Base-Backbone interact. energy: -2.270 local terms energy: -552.980140 where: bonds (distance) C4'-P energy: -113.768 bonds (distance) P-C4' energy: -119.948 flat angles C4'-P-C4' energy: -115.436 flat angles P-C4'-P energy: -68.485 tors. eta vs tors. theta energy: -135.342 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: 25 Temperature: 1.250000 Total energy: -1510.423382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.423382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.423382 (E_RNA) where: Base-Base interactions energy: -985.434 where: short stacking energy: -431.234 Base-Backbone interact. energy: -2.180 local terms energy: -522.809428 where: bonds (distance) C4'-P energy: -126.827 bonds (distance) P-C4' energy: -99.165 flat angles C4'-P-C4' energy: -121.832 flat angles P-C4'-P energy: -79.935 tors. eta vs tors. theta energy: -95.050 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: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1444.815876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.815876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.815876 (E_RNA) where: Base-Base interactions energy: -943.479 where: short stacking energy: -405.796 Base-Backbone interact. energy: -3.137 local terms energy: -498.200655 where: bonds (distance) C4'-P energy: -102.567 bonds (distance) P-C4' energy: -113.001 flat angles C4'-P-C4' energy: -109.237 flat angles P-C4'-P energy: -73.074 tors. eta vs tors. theta energy: -100.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -971.616709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.616709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.616709 (E_RNA) where: Base-Base interactions energy: -599.625 where: short stacking energy: -273.880 Base-Backbone interact. energy: -3.830 local terms energy: -368.161786 where: bonds (distance) C4'-P energy: -104.587 bonds (distance) P-C4' energy: -105.253 flat angles C4'-P-C4' energy: -91.018 flat angles P-C4'-P energy: -43.075 tors. eta vs tors. theta energy: -24.228 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: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2417.013517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.013517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.013517 (E_RNA) where: Base-Base interactions energy: -1691.996 where: short stacking energy: -722.435 Base-Backbone interact. energy: -2.029 local terms energy: -722.988756 where: bonds (distance) C4'-P energy: -131.175 bonds (distance) P-C4' energy: -134.488 flat angles C4'-P-C4' energy: -153.206 flat angles P-C4'-P energy: -101.600 tors. eta vs tors. theta energy: -202.520 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: 2, replica: 1 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2402.684245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.684245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.684245 (E_RNA) where: Base-Base interactions energy: -1667.371 where: short stacking energy: -703.265 Base-Backbone interact. energy: -4.811 local terms energy: -730.502182 where: bonds (distance) C4'-P energy: -128.135 bonds (distance) P-C4' energy: -123.418 flat angles C4'-P-C4' energy: -150.952 flat angles P-C4'-P energy: -107.058 tors. eta vs tors. theta energy: -220.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2294.325308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.325308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.325308 (E_RNA) where: Base-Base interactions energy: -1607.114 where: short stacking energy: -681.216 Base-Backbone interact. energy: -1.109 local terms energy: -686.102495 where: bonds (distance) C4'-P energy: -127.270 bonds (distance) P-C4' energy: -112.185 flat angles C4'-P-C4' energy: -149.243 flat angles P-C4'-P energy: -95.776 tors. eta vs tors. theta energy: -201.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -2192.588064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.588064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.588064 (E_RNA) where: Base-Base interactions energy: -1528.587 where: short stacking energy: -653.662 Base-Backbone interact. energy: -1.840 local terms energy: -662.160173 where: bonds (distance) C4'-P energy: -108.813 bonds (distance) P-C4' energy: -131.885 flat angles C4'-P-C4' energy: -145.822 flat angles P-C4'-P energy: -89.556 tors. eta vs tors. theta energy: -186.084 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: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -2038.444673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.444673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.444673 (E_RNA) where: Base-Base interactions energy: -1389.365 where: short stacking energy: -616.409 Base-Backbone interact. energy: -3.558 local terms energy: -645.521418 where: bonds (distance) C4'-P energy: -113.045 bonds (distance) P-C4' energy: -126.612 flat angles C4'-P-C4' energy: -144.448 flat angles P-C4'-P energy: -97.592 tors. eta vs tors. theta energy: -163.825 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: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1949.703283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.703283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.703283 (E_RNA) where: Base-Base interactions energy: -1374.811 where: short stacking energy: -569.540 Base-Backbone interact. energy: -0.870 local terms energy: -574.023020 where: bonds (distance) C4'-P energy: -110.059 bonds (distance) P-C4' energy: -102.924 flat angles C4'-P-C4' energy: -118.240 flat angles P-C4'-P energy: -97.146 tors. eta vs tors. theta energy: -145.654 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: 7, replica: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1798.240152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.240152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.240152 (E_RNA) where: Base-Base interactions energy: -1234.833 where: short stacking energy: -527.155 Base-Backbone interact. energy: 0.254 local terms energy: -563.661483 where: bonds (distance) C4'-P energy: -114.988 bonds (distance) P-C4' energy: -105.682 flat angles C4'-P-C4' energy: -119.134 flat angles P-C4'-P energy: -93.885 tors. eta vs tors. theta energy: -129.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1567.092492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.092492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.092492 (E_RNA) where: Base-Base interactions energy: -1039.781 where: short stacking energy: -455.995 Base-Backbone interact. energy: -2.793 local terms energy: -524.519200 where: bonds (distance) C4'-P energy: -117.082 bonds (distance) P-C4' energy: -115.572 flat angles C4'-P-C4' energy: -127.592 flat angles P-C4'-P energy: -60.995 tors. eta vs tors. theta energy: -103.278 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: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1477.956547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.956547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.956547 (E_RNA) where: Base-Base interactions energy: -978.773 where: short stacking energy: -446.498 Base-Backbone interact. energy: -1.057 local terms energy: -498.126229 where: bonds (distance) C4'-P energy: -94.892 bonds (distance) P-C4' energy: -103.625 flat angles C4'-P-C4' energy: -112.276 flat angles P-C4'-P energy: -76.058 tors. eta vs tors. theta energy: -111.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -985.639387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.639387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.639387 (E_RNA) where: Base-Base interactions energy: -542.895 where: short stacking energy: -286.383 Base-Backbone interact. energy: -2.664 local terms energy: -440.080833 where: bonds (distance) C4'-P energy: -120.813 bonds (distance) P-C4' energy: -112.183 flat angles C4'-P-C4' energy: -118.926 flat angles P-C4'-P energy: -48.764 tors. eta vs tors. theta energy: -39.395 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: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2405.259012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.259012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.259012 (E_RNA) where: Base-Base interactions energy: -1687.181 where: short stacking energy: -714.430 Base-Backbone interact. energy: -2.742 local terms energy: -715.336159 where: bonds (distance) C4'-P energy: -127.726 bonds (distance) P-C4' energy: -132.836 flat angles C4'-P-C4' energy: -130.837 flat angles P-C4'-P energy: -105.585 tors. eta vs tors. theta energy: -218.352 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: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2394.559082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.559082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.559082 (E_RNA) where: Base-Base interactions energy: -1675.087 where: short stacking energy: -725.427 Base-Backbone interact. energy: -1.028 local terms energy: -718.443899 where: bonds (distance) C4'-P energy: -135.684 bonds (distance) P-C4' energy: -129.016 flat angles C4'-P-C4' energy: -150.226 flat angles P-C4'-P energy: -102.448 tors. eta vs tors. theta energy: -201.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2268.284430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.284430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.284430 (E_RNA) where: Base-Base interactions energy: -1593.869 where: short stacking energy: -669.197 Base-Backbone interact. energy: -4.916 local terms energy: -669.498928 where: bonds (distance) C4'-P energy: -108.556 bonds (distance) P-C4' energy: -125.195 flat angles C4'-P-C4' energy: -133.585 flat angles P-C4'-P energy: -105.432 tors. eta vs tors. theta energy: -196.731 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: 3 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -2167.123505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.123505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.123505 (E_RNA) where: Base-Base interactions energy: -1494.495 where: short stacking energy: -641.767 Base-Backbone interact. energy: -4.382 local terms energy: -668.246786 where: bonds (distance) C4'-P energy: -124.356 bonds (distance) P-C4' energy: -141.220 flat angles C4'-P-C4' energy: -130.208 flat angles P-C4'-P energy: -92.962 tors. eta vs tors. theta energy: -179.500 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: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -2084.530430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.530430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.530430 (E_RNA) where: Base-Base interactions energy: -1473.717 where: short stacking energy: -588.239 Base-Backbone interact. energy: -3.832 local terms energy: -606.980707 where: bonds (distance) C4'-P energy: -109.755 bonds (distance) P-C4' energy: -113.097 flat angles C4'-P-C4' energy: -127.545 flat angles P-C4'-P energy: -85.770 tors. eta vs tors. theta energy: -170.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1964.897590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.897590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.897590 (E_RNA) where: Base-Base interactions energy: -1339.478 where: short stacking energy: -580.943 Base-Backbone interact. energy: -4.065 local terms energy: -621.354018 where: bonds (distance) C4'-P energy: -113.870 bonds (distance) P-C4' energy: -126.047 flat angles C4'-P-C4' energy: -141.543 flat angles P-C4'-P energy: -87.194 tors. eta vs tors. theta energy: -152.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1837.275878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.275878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.275878 (E_RNA) where: Base-Base interactions energy: -1256.899 where: short stacking energy: -532.268 Base-Backbone interact. energy: -2.492 local terms energy: -577.885290 where: bonds (distance) C4'-P energy: -117.313 bonds (distance) P-C4' energy: -121.565 flat angles C4'-P-C4' energy: -128.067 flat angles P-C4'-P energy: -69.215 tors. eta vs tors. theta energy: -141.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1578.695373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.695373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.695373 (E_RNA) where: Base-Base interactions energy: -1078.227 where: short stacking energy: -448.546 Base-Backbone interact. energy: -2.708 local terms energy: -497.760053 where: bonds (distance) C4'-P energy: -105.957 bonds (distance) P-C4' energy: -115.306 flat angles C4'-P-C4' energy: -116.897 flat angles P-C4'-P energy: -62.635 tors. eta vs tors. theta energy: -96.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1438.960497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.960497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.960497 (E_RNA) where: Base-Base interactions energy: -935.829 where: short stacking energy: -383.912 Base-Backbone interact. energy: -5.044 local terms energy: -498.087337 where: bonds (distance) C4'-P energy: -109.557 bonds (distance) P-C4' energy: -108.346 flat angles C4'-P-C4' energy: -114.520 flat angles P-C4'-P energy: -68.425 tors. eta vs tors. theta energy: -97.239 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: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -986.302431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.302431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.302431 (E_RNA) where: Base-Base interactions energy: -606.591 where: short stacking energy: -285.413 Base-Backbone interact. energy: 4.943 local terms energy: -384.654436 where: bonds (distance) C4'-P energy: -91.369 bonds (distance) P-C4' energy: -105.586 flat angles C4'-P-C4' energy: -101.935 flat angles P-C4'-P energy: -62.541 tors. eta vs tors. theta energy: -23.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2437.859703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.859703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.859703 (E_RNA) where: Base-Base interactions energy: -1701.018 where: short stacking energy: -712.818 Base-Backbone interact. energy: -3.283 local terms energy: -733.559095 where: bonds (distance) C4'-P energy: -138.691 bonds (distance) P-C4' energy: -134.260 flat angles C4'-P-C4' energy: -150.366 flat angles P-C4'-P energy: -96.792 tors. eta vs tors. theta energy: -213.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2359.689388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.689388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.689388 (E_RNA) where: Base-Base interactions energy: -1647.258 where: short stacking energy: -723.445 Base-Backbone interact. energy: -1.017 local terms energy: -711.414275 where: bonds (distance) C4'-P energy: -120.633 bonds (distance) P-C4' energy: -120.210 flat angles C4'-P-C4' energy: -152.936 flat angles P-C4'-P energy: -106.924 tors. eta vs tors. theta energy: -210.711 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: 5 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2281.296891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.296891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.296891 (E_RNA) where: Base-Base interactions energy: -1610.753 where: short stacking energy: -656.640 Base-Backbone interact. energy: -2.186 local terms energy: -668.357469 where: bonds (distance) C4'-P energy: -134.624 bonds (distance) P-C4' energy: -116.283 flat angles C4'-P-C4' energy: -145.396 flat angles P-C4'-P energy: -81.308 tors. eta vs tors. theta energy: -190.746 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: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -2198.616247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.616247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.616247 (E_RNA) where: Base-Base interactions energy: -1531.878 where: short stacking energy: -659.966 Base-Backbone interact. energy: 1.091 local terms energy: -667.829837 where: bonds (distance) C4'-P energy: -130.507 bonds (distance) P-C4' energy: -112.194 flat angles C4'-P-C4' energy: -149.095 flat angles P-C4'-P energy: -90.197 tors. eta vs tors. theta energy: -185.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -2026.386310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.386310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.386310 (E_RNA) where: Base-Base interactions energy: -1404.079 where: short stacking energy: -595.191 Base-Backbone interact. energy: -1.314 local terms energy: -620.993261 where: bonds (distance) C4'-P energy: -111.299 bonds (distance) P-C4' energy: -115.588 flat angles C4'-P-C4' energy: -133.144 flat angles P-C4'-P energy: -97.831 tors. eta vs tors. theta energy: -163.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1999.394057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.394057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.394057 (E_RNA) where: Base-Base interactions energy: -1382.241 where: short stacking energy: -568.364 Base-Backbone interact. energy: -2.560 local terms energy: -614.593273 where: bonds (distance) C4'-P energy: -111.809 bonds (distance) P-C4' energy: -126.373 flat angles C4'-P-C4' energy: -132.804 flat angles P-C4'-P energy: -87.324 tors. eta vs tors. theta energy: -156.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1792.287598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.287598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.287598 (E_RNA) where: Base-Base interactions energy: -1182.266 where: short stacking energy: -517.898 Base-Backbone interact. energy: -3.707 local terms energy: -606.315213 where: bonds (distance) C4'-P energy: -116.138 bonds (distance) P-C4' energy: -122.668 flat angles C4'-P-C4' energy: -141.882 flat angles P-C4'-P energy: -80.641 tors. eta vs tors. theta energy: -144.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1669.843870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.843870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.843870 (E_RNA) where: Base-Base interactions energy: -1119.032 where: short stacking energy: -479.371 Base-Backbone interact. energy: -0.540 local terms energy: -550.272454 where: bonds (distance) C4'-P energy: -113.701 bonds (distance) P-C4' energy: -107.850 flat angles C4'-P-C4' energy: -116.639 flat angles P-C4'-P energy: -76.265 tors. eta vs tors. theta energy: -135.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1412.259964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.259964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.259964 (E_RNA) where: Base-Base interactions energy: -904.694 where: short stacking energy: -415.575 Base-Backbone interact. energy: 1.692 local terms energy: -509.258403 where: bonds (distance) C4'-P energy: -128.798 bonds (distance) P-C4' energy: -106.100 flat angles C4'-P-C4' energy: -107.326 flat angles P-C4'-P energy: -62.076 tors. eta vs tors. theta energy: -104.959 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: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -982.282708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.282708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.282708 (E_RNA) where: Base-Base interactions energy: -613.666 where: short stacking energy: -273.336 Base-Backbone interact. energy: 5.833 local terms energy: -374.449427 where: bonds (distance) C4'-P energy: -115.077 bonds (distance) P-C4' energy: -103.049 flat angles C4'-P-C4' energy: -88.430 flat angles P-C4'-P energy: -47.587 tors. eta vs tors. theta energy: -20.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2430.178521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.178521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.178521 (E_RNA) where: Base-Base interactions energy: -1693.480 where: short stacking energy: -714.262 Base-Backbone interact. energy: -4.420 local terms energy: -732.278805 where: bonds (distance) C4'-P energy: -126.492 bonds (distance) P-C4' energy: -141.198 flat angles C4'-P-C4' energy: -139.244 flat angles P-C4'-P energy: -105.946 tors. eta vs tors. theta energy: -219.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2377.347251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.347251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.347251 (E_RNA) where: Base-Base interactions energy: -1663.317 where: short stacking energy: -718.046 Base-Backbone interact. energy: -0.068 local terms energy: -713.961785 where: bonds (distance) C4'-P energy: -128.373 bonds (distance) P-C4' energy: -130.904 flat angles C4'-P-C4' energy: -150.160 flat angles P-C4'-P energy: -87.467 tors. eta vs tors. theta energy: -217.058 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: 3, replica: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2260.251363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.251363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.251363 (E_RNA) where: Base-Base interactions energy: -1571.840 where: short stacking energy: -644.877 Base-Backbone interact. energy: -1.998 local terms energy: -686.413231 where: bonds (distance) C4'-P energy: -121.802 bonds (distance) P-C4' energy: -131.959 flat angles C4'-P-C4' energy: -146.484 flat angles P-C4'-P energy: -96.884 tors. eta vs tors. theta energy: -189.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2222.535995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.535995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.535995 (E_RNA) where: Base-Base interactions energy: -1533.261 where: short stacking energy: -667.986 Base-Backbone interact. energy: 1.043 local terms energy: -690.318819 where: bonds (distance) C4'-P energy: -130.853 bonds (distance) P-C4' energy: -124.002 flat angles C4'-P-C4' energy: -148.452 flat angles P-C4'-P energy: -91.569 tors. eta vs tors. theta energy: -195.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1997.580688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.580688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.580688 (E_RNA) where: Base-Base interactions energy: -1377.357 where: short stacking energy: -576.294 Base-Backbone interact. energy: -1.954 local terms energy: -618.269427 where: bonds (distance) C4'-P energy: -118.961 bonds (distance) P-C4' energy: -109.277 flat angles C4'-P-C4' energy: -144.977 flat angles P-C4'-P energy: -79.025 tors. eta vs tors. theta energy: -166.028 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: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1942.914801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.914801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.914801 (E_RNA) where: Base-Base interactions energy: -1347.059 where: short stacking energy: -564.318 Base-Backbone interact. energy: -0.118 local terms energy: -595.737942 where: bonds (distance) C4'-P energy: -88.114 bonds (distance) P-C4' energy: -118.285 flat angles C4'-P-C4' energy: -141.516 flat angles P-C4'-P energy: -92.180 tors. eta vs tors. theta energy: -155.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1804.277096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.277096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.277096 (E_RNA) where: Base-Base interactions energy: -1241.342 where: short stacking energy: -542.248 Base-Backbone interact. energy: -2.648 local terms energy: -560.286516 where: bonds (distance) C4'-P energy: -89.063 bonds (distance) P-C4' energy: -122.736 flat angles C4'-P-C4' energy: -126.773 flat angles P-C4'-P energy: -78.142 tors. eta vs tors. theta energy: -143.572 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: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1627.267311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.267311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.267311 (E_RNA) where: Base-Base interactions energy: -1059.562 where: short stacking energy: -451.492 Base-Backbone interact. energy: -0.492 local terms energy: -567.213177 where: bonds (distance) C4'-P energy: -121.789 bonds (distance) P-C4' energy: -121.627 flat angles C4'-P-C4' energy: -130.635 flat angles P-C4'-P energy: -69.159 tors. eta vs tors. theta energy: -124.004 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: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1335.911160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.911160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.911160 (E_RNA) where: Base-Base interactions energy: -847.472 where: short stacking energy: -392.625 Base-Backbone interact. energy: -0.374 local terms energy: -488.064563 where: bonds (distance) C4'-P energy: -115.963 bonds (distance) P-C4' energy: -98.715 flat angles C4'-P-C4' energy: -119.562 flat angles P-C4'-P energy: -68.486 tors. eta vs tors. theta energy: -85.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -974.488526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.488526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.488526 (E_RNA) where: Base-Base interactions energy: -628.694 where: short stacking energy: -302.825 Base-Backbone interact. energy: -0.513 local terms energy: -345.281055 where: bonds (distance) C4'-P energy: -80.607 bonds (distance) P-C4' energy: -101.544 flat angles C4'-P-C4' energy: -91.927 flat angles P-C4'-P energy: -43.901 tors. eta vs tors. theta energy: -27.303 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: 1 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2444.776298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.776298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.776298 (E_RNA) where: Base-Base interactions energy: -1708.568 where: short stacking energy: -753.937 Base-Backbone interact. energy: 1.192 local terms energy: -737.399674 where: bonds (distance) C4'-P energy: -139.405 bonds (distance) P-C4' energy: -130.451 flat angles C4'-P-C4' energy: -144.065 flat angles P-C4'-P energy: -96.278 tors. eta vs tors. theta energy: -227.201 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: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2349.505787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.505787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.505787 (E_RNA) where: Base-Base interactions energy: -1645.732 where: short stacking energy: -698.423 Base-Backbone interact. energy: -0.430 local terms energy: -703.343165 where: bonds (distance) C4'-P energy: -133.177 bonds (distance) P-C4' energy: -114.135 flat angles C4'-P-C4' energy: -154.057 flat angles P-C4'-P energy: -98.994 tors. eta vs tors. theta energy: -202.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2286.908208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.908208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.908208 (E_RNA) where: Base-Base interactions energy: -1605.046 where: short stacking energy: -678.002 Base-Backbone interact. energy: 0.182 local terms energy: -682.044355 where: bonds (distance) C4'-P energy: -116.865 bonds (distance) P-C4' energy: -132.476 flat angles C4'-P-C4' energy: -139.152 flat angles P-C4'-P energy: -88.785 tors. eta vs tors. theta energy: -204.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2176.374984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.374984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.374984 (E_RNA) where: Base-Base interactions energy: -1512.542 where: short stacking energy: -644.377 Base-Backbone interact. energy: -1.335 local terms energy: -662.498118 where: bonds (distance) C4'-P energy: -119.611 bonds (distance) P-C4' energy: -121.988 flat angles C4'-P-C4' energy: -147.042 flat angles P-C4'-P energy: -95.107 tors. eta vs tors. theta energy: -178.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -2094.032769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.032769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.032769 (E_RNA) where: Base-Base interactions energy: -1456.300 where: short stacking energy: -621.325 Base-Backbone interact. energy: -2.753 local terms energy: -634.979924 where: bonds (distance) C4'-P energy: -92.448 bonds (distance) P-C4' energy: -141.419 flat angles C4'-P-C4' energy: -141.255 flat angles P-C4'-P energy: -87.542 tors. eta vs tors. theta energy: -172.317 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: 30 Temperature: 1.150000 Total energy: -2037.175927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.175927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.175927 (E_RNA) where: Base-Base interactions energy: -1443.669 where: short stacking energy: -605.264 Base-Backbone interact. energy: -1.913 local terms energy: -591.594771 where: bonds (distance) C4'-P energy: -111.127 bonds (distance) P-C4' energy: -106.395 flat angles C4'-P-C4' energy: -124.038 flat angles P-C4'-P energy: -75.430 tors. eta vs tors. theta energy: -174.605 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: 30 Temperature: 1.200000 Total energy: -1832.414941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.414941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.414941 (E_RNA) where: Base-Base interactions energy: -1247.342 where: short stacking energy: -566.865 Base-Backbone interact. energy: -2.065 local terms energy: -583.007750 where: bonds (distance) C4'-P energy: -120.304 bonds (distance) P-C4' energy: -104.511 flat angles C4'-P-C4' energy: -121.062 flat angles P-C4'-P energy: -93.217 tors. eta vs tors. theta energy: -143.914 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: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1536.427718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.427718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.427718 (E_RNA) where: Base-Base interactions energy: -1025.470 where: short stacking energy: -442.272 Base-Backbone interact. energy: 1.714 local terms energy: -512.671537 where: bonds (distance) C4'-P energy: -97.808 bonds (distance) P-C4' energy: -119.208 flat angles C4'-P-C4' energy: -117.405 flat angles P-C4'-P energy: -83.787 tors. eta vs tors. theta energy: -94.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1301.413840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.413840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.413840 (E_RNA) where: Base-Base interactions energy: -845.000 where: short stacking energy: -364.689 Base-Backbone interact. energy: -2.426 local terms energy: -453.987913 where: bonds (distance) C4'-P energy: -95.289 bonds (distance) P-C4' energy: -113.025 flat angles C4'-P-C4' energy: -113.206 flat angles P-C4'-P energy: -58.051 tors. eta vs tors. theta energy: -74.417 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: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -982.038709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.038709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.038709 (E_RNA) where: Base-Base interactions energy: -596.888 where: short stacking energy: -273.504 Base-Backbone interact. energy: -1.400 local terms energy: -383.750623 where: bonds (distance) C4'-P energy: -118.669 bonds (distance) P-C4' energy: -93.543 flat angles C4'-P-C4' energy: -92.718 flat angles P-C4'-P energy: -49.892 tors. eta vs tors. theta energy: -28.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2445.584820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.584820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.584820 (E_RNA) where: Base-Base interactions energy: -1690.314 where: short stacking energy: -730.697 Base-Backbone interact. energy: -1.790 local terms energy: -753.480829 where: bonds (distance) C4'-P energy: -134.531 bonds (distance) P-C4' energy: -142.780 flat angles C4'-P-C4' energy: -157.572 flat angles P-C4'-P energy: -103.792 tors. eta vs tors. theta energy: -214.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2362.708460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.708460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.708460 (E_RNA) where: Base-Base interactions energy: -1673.431 where: short stacking energy: -708.907 Base-Backbone interact. energy: -1.685 local terms energy: -687.592102 where: bonds (distance) C4'-P energy: -104.729 bonds (distance) P-C4' energy: -135.874 flat angles C4'-P-C4' energy: -152.103 flat angles P-C4'-P energy: -87.847 tors. eta vs tors. theta energy: -207.038 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: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2286.246594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.246594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.246594 (E_RNA) where: Base-Base interactions energy: -1581.819 where: short stacking energy: -687.312 Base-Backbone interact. energy: 4.296 local terms energy: -708.724108 where: bonds (distance) C4'-P energy: -123.980 bonds (distance) P-C4' energy: -139.730 flat angles C4'-P-C4' energy: -137.067 flat angles P-C4'-P energy: -100.847 tors. eta vs tors. theta energy: -207.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2138.132706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.132706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.132706 (E_RNA) where: Base-Base interactions energy: -1500.875 where: short stacking energy: -646.678 Base-Backbone interact. energy: -0.999 local terms energy: -636.258145 where: bonds (distance) C4'-P energy: -101.467 bonds (distance) P-C4' energy: -120.353 flat angles C4'-P-C4' energy: -136.681 flat angles P-C4'-P energy: -96.975 tors. eta vs tors. theta energy: -180.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -2142.761036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.761036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.761036 (E_RNA) where: Base-Base interactions energy: -1471.005 where: short stacking energy: -599.856 Base-Backbone interact. energy: 6.453 local terms energy: -678.209836 where: bonds (distance) C4'-P energy: -125.400 bonds (distance) P-C4' energy: -117.632 flat angles C4'-P-C4' energy: -143.408 flat angles P-C4'-P energy: -108.034 tors. eta vs tors. theta energy: -183.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -2032.378527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.378527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.378527 (E_RNA) where: Base-Base interactions energy: -1420.461 where: short stacking energy: -584.587 Base-Backbone interact. energy: 1.702 local terms energy: -613.620099 where: bonds (distance) C4'-P energy: -97.105 bonds (distance) P-C4' energy: -123.189 flat angles C4'-P-C4' energy: -135.172 flat angles P-C4'-P energy: -85.210 tors. eta vs tors. theta energy: -172.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1866.105807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.105807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.105807 (E_RNA) where: Base-Base interactions energy: -1276.735 where: short stacking energy: -538.419 Base-Backbone interact. energy: -3.837 local terms energy: -585.534506 where: bonds (distance) C4'-P energy: -119.172 bonds (distance) P-C4' energy: -113.426 flat angles C4'-P-C4' energy: -125.833 flat angles P-C4'-P energy: -83.246 tors. eta vs tors. theta energy: -143.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1536.017244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.017244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.017244 (E_RNA) where: Base-Base interactions energy: -993.027 where: short stacking energy: -440.124 Base-Backbone interact. energy: -0.899 local terms energy: -542.091720 where: bonds (distance) C4'-P energy: -100.674 bonds (distance) P-C4' energy: -135.998 flat angles C4'-P-C4' energy: -134.547 flat angles P-C4'-P energy: -62.026 tors. eta vs tors. theta energy: -108.846 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: 31 Temperature: 1.300000 Total energy: -1360.967608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.967608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.967608 (E_RNA) where: Base-Base interactions energy: -878.436 where: short stacking energy: -407.565 Base-Backbone interact. energy: -0.735 local terms energy: -481.796627 where: bonds (distance) C4'-P energy: -105.073 bonds (distance) P-C4' energy: -108.241 flat angles C4'-P-C4' energy: -103.030 flat angles P-C4'-P energy: -72.564 tors. eta vs tors. theta energy: -92.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -1018.316695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.316695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.316695 (E_RNA) where: Base-Base interactions energy: -578.902 where: short stacking energy: -263.642 Base-Backbone interact. energy: -0.843 local terms energy: -438.571121 where: bonds (distance) C4'-P energy: -97.118 bonds (distance) P-C4' energy: -126.984 flat angles C4'-P-C4' energy: -97.824 flat angles P-C4'-P energy: -75.661 tors. eta vs tors. theta energy: -40.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2452.830565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.830565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.830565 (E_RNA) where: Base-Base interactions energy: -1715.796 where: short stacking energy: -709.792 Base-Backbone interact. energy: -5.814 local terms energy: -731.221125 where: bonds (distance) C4'-P energy: -121.399 bonds (distance) P-C4' energy: -132.137 flat angles C4'-P-C4' energy: -150.111 flat angles P-C4'-P energy: -120.762 tors. eta vs tors. theta energy: -206.812 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: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2348.495451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.495451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.495451 (E_RNA) where: Base-Base interactions energy: -1666.789 where: short stacking energy: -680.176 Base-Backbone interact. energy: -0.087 local terms energy: -681.620101 where: bonds (distance) C4'-P energy: -109.219 bonds (distance) P-C4' energy: -137.391 flat angles C4'-P-C4' energy: -151.593 flat angles P-C4'-P energy: -77.561 tors. eta vs tors. theta energy: -205.855 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: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2324.045534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.045534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.045534 (E_RNA) where: Base-Base interactions energy: -1621.729 where: short stacking energy: -698.154 Base-Backbone interact. energy: -1.144 local terms energy: -701.172892 where: bonds (distance) C4'-P energy: -117.945 bonds (distance) P-C4' energy: -117.075 flat angles C4'-P-C4' energy: -158.644 flat angles P-C4'-P energy: -90.141 tors. eta vs tors. theta energy: -217.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2104.754420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.754420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.754420 (E_RNA) where: Base-Base interactions energy: -1455.482 where: short stacking energy: -626.106 Base-Backbone interact. energy: 1.868 local terms energy: -651.139887 where: bonds (distance) C4'-P energy: -115.877 bonds (distance) P-C4' energy: -124.623 flat angles C4'-P-C4' energy: -142.406 flat angles P-C4'-P energy: -93.141 tors. eta vs tors. theta energy: -175.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -2128.919925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.919925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.919925 (E_RNA) where: Base-Base interactions energy: -1486.439 where: short stacking energy: -618.299 Base-Backbone interact. energy: -1.971 local terms energy: -640.510158 where: bonds (distance) C4'-P energy: -112.830 bonds (distance) P-C4' energy: -122.044 flat angles C4'-P-C4' energy: -135.946 flat angles P-C4'-P energy: -95.310 tors. eta vs tors. theta energy: -174.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -2066.400194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.400194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.400194 (E_RNA) where: Base-Base interactions energy: -1480.306 where: short stacking energy: -600.161 Base-Backbone interact. energy: 0.310 local terms energy: -586.403958 where: bonds (distance) C4'-P energy: -118.627 bonds (distance) P-C4' energy: -118.598 flat angles C4'-P-C4' energy: -122.354 flat angles P-C4'-P energy: -77.148 tors. eta vs tors. theta energy: -149.677 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: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1861.690139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.690139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.690139 (E_RNA) where: Base-Base interactions energy: -1266.810 where: short stacking energy: -537.509 Base-Backbone interact. energy: -0.180 local terms energy: -594.700728 where: bonds (distance) C4'-P energy: -115.537 bonds (distance) P-C4' energy: -118.298 flat angles C4'-P-C4' energy: -138.846 flat angles P-C4'-P energy: -81.126 tors. eta vs tors. theta energy: -140.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1587.373234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.373234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.373234 (E_RNA) where: Base-Base interactions energy: -1046.556 where: short stacking energy: -445.959 Base-Backbone interact. energy: 2.079 local terms energy: -542.896560 where: bonds (distance) C4'-P energy: -108.643 bonds (distance) P-C4' energy: -132.999 flat angles C4'-P-C4' energy: -115.835 flat angles P-C4'-P energy: -88.926 tors. eta vs tors. theta energy: -96.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1367.342702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.342702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.342702 (E_RNA) where: Base-Base interactions energy: -905.982 where: short stacking energy: -393.707 Base-Backbone interact. energy: 0.452 local terms energy: -461.813257 where: bonds (distance) C4'-P energy: -115.755 bonds (distance) P-C4' energy: -109.398 flat angles C4'-P-C4' energy: -91.751 flat angles P-C4'-P energy: -59.704 tors. eta vs tors. theta energy: -85.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -1124.946568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.946568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.946568 (E_RNA) where: Base-Base interactions energy: -699.749 where: short stacking energy: -311.045 Base-Backbone interact. energy: -1.982 local terms energy: -423.215624 where: bonds (distance) C4'-P energy: -99.202 bonds (distance) P-C4' energy: -113.139 flat angles C4'-P-C4' energy: -104.132 flat angles P-C4'-P energy: -52.013 tors. eta vs tors. theta energy: -54.729 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: 33 Temperature: 0.900000 Total energy: -2444.457825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.457825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.457825 (E_RNA) where: Base-Base interactions energy: -1686.115 where: short stacking energy: -706.886 Base-Backbone interact. energy: -4.140 local terms energy: -754.202865 where: bonds (distance) C4'-P energy: -148.369 bonds (distance) P-C4' energy: -144.520 flat angles C4'-P-C4' energy: -157.661 flat angles P-C4'-P energy: -96.085 tors. eta vs tors. theta energy: -207.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2370.423846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.423846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.423846 (E_RNA) where: Base-Base interactions energy: -1644.193 where: short stacking energy: -680.352 Base-Backbone interact. energy: -3.506 local terms energy: -722.724815 where: bonds (distance) C4'-P energy: -139.164 bonds (distance) P-C4' energy: -116.713 flat angles C4'-P-C4' energy: -144.951 flat angles P-C4'-P energy: -111.258 tors. eta vs tors. theta energy: -210.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2304.936891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.936891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.936891 (E_RNA) where: Base-Base interactions energy: -1583.902 where: short stacking energy: -701.286 Base-Backbone interact. energy: -2.248 local terms energy: -718.786875 where: bonds (distance) C4'-P energy: -130.212 bonds (distance) P-C4' energy: -123.312 flat angles C4'-P-C4' energy: -153.512 flat angles P-C4'-P energy: -101.206 tors. eta vs tors. theta energy: -210.545 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: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2154.797505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.797505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.797505 (E_RNA) where: Base-Base interactions energy: -1495.352 where: short stacking energy: -639.131 Base-Backbone interact. energy: -1.306 local terms energy: -658.138800 where: bonds (distance) C4'-P energy: -112.344 bonds (distance) P-C4' energy: -132.772 flat angles C4'-P-C4' energy: -148.390 flat angles P-C4'-P energy: -83.791 tors. eta vs tors. theta energy: -180.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -2060.706875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.706875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.706875 (E_RNA) where: Base-Base interactions energy: -1407.397 where: short stacking energy: -602.980 Base-Backbone interact. energy: -2.173 local terms energy: -651.137658 where: bonds (distance) C4'-P energy: -108.489 bonds (distance) P-C4' energy: -125.618 flat angles C4'-P-C4' energy: -145.686 flat angles P-C4'-P energy: -93.759 tors. eta vs tors. theta energy: -177.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -2117.522554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.522554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.522554 (E_RNA) where: Base-Base interactions energy: -1478.363 where: short stacking energy: -603.402 Base-Backbone interact. energy: 1.934 local terms energy: -641.093372 where: bonds (distance) C4'-P energy: -112.919 bonds (distance) P-C4' energy: -121.602 flat angles C4'-P-C4' energy: -134.697 flat angles P-C4'-P energy: -90.314 tors. eta vs tors. theta energy: -181.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1877.988492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.988492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.988492 (E_RNA) where: Base-Base interactions energy: -1288.316 where: short stacking energy: -524.319 Base-Backbone interact. energy: -1.161 local terms energy: -588.511216 where: bonds (distance) C4'-P energy: -95.593 bonds (distance) P-C4' energy: -120.856 flat angles C4'-P-C4' energy: -144.974 flat angles P-C4'-P energy: -90.491 tors. eta vs tors. theta energy: -136.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1614.645416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.645416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.645416 (E_RNA) where: Base-Base interactions energy: -1098.549 where: short stacking energy: -474.325 Base-Backbone interact. energy: -1.192 local terms energy: -514.904509 where: bonds (distance) C4'-P energy: -98.031 bonds (distance) P-C4' energy: -110.449 flat angles C4'-P-C4' energy: -126.950 flat angles P-C4'-P energy: -70.459 tors. eta vs tors. theta energy: -109.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1383.902172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.902172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.902172 (E_RNA) where: Base-Base interactions energy: -911.215 where: short stacking energy: -382.284 Base-Backbone interact. energy: 6.598 local terms energy: -479.285197 where: bonds (distance) C4'-P energy: -95.050 bonds (distance) P-C4' energy: -127.202 flat angles C4'-P-C4' energy: -97.040 flat angles P-C4'-P energy: -74.500 tors. eta vs tors. theta energy: -85.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -1161.686634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.686634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.686634 (E_RNA) where: Base-Base interactions energy: -728.956 where: short stacking energy: -325.940 Base-Backbone interact. energy: 1.847 local terms energy: -434.578336 where: bonds (distance) C4'-P energy: -94.712 bonds (distance) P-C4' energy: -123.670 flat angles C4'-P-C4' energy: -91.166 flat angles P-C4'-P energy: -76.179 tors. eta vs tors. theta energy: -48.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2439.074535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.074535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.074535 (E_RNA) where: Base-Base interactions energy: -1714.963 where: short stacking energy: -704.602 Base-Backbone interact. energy: -0.870 local terms energy: -723.240874 where: bonds (distance) C4'-P energy: -130.584 bonds (distance) P-C4' energy: -124.647 flat angles C4'-P-C4' energy: -155.753 flat angles P-C4'-P energy: -103.115 tors. eta vs tors. theta energy: -209.141 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: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2346.126883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.126883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.126883 (E_RNA) where: Base-Base interactions energy: -1659.521 where: short stacking energy: -668.604 Base-Backbone interact. energy: -1.384 local terms energy: -685.222175 where: bonds (distance) C4'-P energy: -107.445 bonds (distance) P-C4' energy: -126.317 flat angles C4'-P-C4' energy: -136.557 flat angles P-C4'-P energy: -109.527 tors. eta vs tors. theta energy: -205.376 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: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2291.382657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.382657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.382657 (E_RNA) where: Base-Base interactions energy: -1603.239 where: short stacking energy: -668.221 Base-Backbone interact. energy: -3.055 local terms energy: -685.088385 where: bonds (distance) C4'-P energy: -102.560 bonds (distance) P-C4' energy: -131.516 flat angles C4'-P-C4' energy: -140.064 flat angles P-C4'-P energy: -103.238 tors. eta vs tors. theta energy: -207.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2214.503407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.503407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.503407 (E_RNA) where: Base-Base interactions energy: -1537.135 where: short stacking energy: -639.480 Base-Backbone interact. energy: -2.192 local terms energy: -675.176463 where: bonds (distance) C4'-P energy: -121.972 bonds (distance) P-C4' energy: -124.601 flat angles C4'-P-C4' energy: -150.634 flat angles P-C4'-P energy: -98.202 tors. eta vs tors. theta energy: -179.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -2090.160497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.160497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.160497 (E_RNA) where: Base-Base interactions energy: -1461.009 where: short stacking energy: -619.053 Base-Backbone interact. energy: 0.764 local terms energy: -629.915213 where: bonds (distance) C4'-P energy: -123.203 bonds (distance) P-C4' energy: -118.029 flat angles C4'-P-C4' energy: -132.893 flat angles P-C4'-P energy: -80.976 tors. eta vs tors. theta energy: -174.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -2086.856339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.856339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.856339 (E_RNA) where: Base-Base interactions energy: -1455.532 where: short stacking energy: -583.950 Base-Backbone interact. energy: -1.422 local terms energy: -629.902509 where: bonds (distance) C4'-P energy: -99.582 bonds (distance) P-C4' energy: -125.075 flat angles C4'-P-C4' energy: -136.461 flat angles P-C4'-P energy: -89.090 tors. eta vs tors. theta energy: -179.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1868.626635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.626635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.626635 (E_RNA) where: Base-Base interactions energy: -1273.396 where: short stacking energy: -543.744 Base-Backbone interact. energy: -3.103 local terms energy: -592.127165 where: bonds (distance) C4'-P energy: -106.762 bonds (distance) P-C4' energy: -125.051 flat angles C4'-P-C4' energy: -134.218 flat angles P-C4'-P energy: -87.812 tors. eta vs tors. theta energy: -138.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1686.073077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.073077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.073077 (E_RNA) where: Base-Base interactions energy: -1159.791 where: short stacking energy: -481.355 Base-Backbone interact. energy: -2.410 local terms energy: -523.872403 where: bonds (distance) C4'-P energy: -104.546 bonds (distance) P-C4' energy: -113.354 flat angles C4'-P-C4' energy: -94.504 flat angles P-C4'-P energy: -87.004 tors. eta vs tors. theta energy: -124.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1448.648536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.648536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.648536 (E_RNA) where: Base-Base interactions energy: -920.710 where: short stacking energy: -383.171 Base-Backbone interact. energy: -1.857 local terms energy: -526.082020 where: bonds (distance) C4'-P energy: -109.675 bonds (distance) P-C4' energy: -133.173 flat angles C4'-P-C4' energy: -106.195 flat angles P-C4'-P energy: -87.558 tors. eta vs tors. theta energy: -89.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -1147.491728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.491728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.491728 (E_RNA) where: Base-Base interactions energy: -708.170 where: short stacking energy: -348.747 Base-Backbone interact. energy: 1.250 local terms energy: -440.570965 where: bonds (distance) C4'-P energy: -110.364 bonds (distance) P-C4' energy: -94.004 flat angles C4'-P-C4' energy: -112.662 flat angles P-C4'-P energy: -61.272 tors. eta vs tors. theta energy: -62.269 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: 1 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2425.540647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.540647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.540647 (E_RNA) where: Base-Base interactions energy: -1693.734 where: short stacking energy: -717.276 Base-Backbone interact. energy: -0.800 local terms energy: -731.006669 where: bonds (distance) C4'-P energy: -122.942 bonds (distance) P-C4' energy: -133.319 flat angles C4'-P-C4' energy: -157.647 flat angles P-C4'-P energy: -106.104 tors. eta vs tors. theta energy: -210.994 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: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2363.555275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.555275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.555275 (E_RNA) where: Base-Base interactions energy: -1640.442 where: short stacking energy: -706.397 Base-Backbone interact. energy: -1.849 local terms energy: -721.265057 where: bonds (distance) C4'-P energy: -126.557 bonds (distance) P-C4' energy: -120.399 flat angles C4'-P-C4' energy: -158.683 flat angles P-C4'-P energy: -110.016 tors. eta vs tors. theta energy: -205.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2347.630766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.630766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.630766 (E_RNA) where: Base-Base interactions energy: -1639.915 where: short stacking energy: -672.754 Base-Backbone interact. energy: 0.078 local terms energy: -707.793460 where: bonds (distance) C4'-P energy: -134.598 bonds (distance) P-C4' energy: -132.855 flat angles C4'-P-C4' energy: -140.030 flat angles P-C4'-P energy: -95.323 tors. eta vs tors. theta energy: -204.989 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: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2220.486087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.486087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.486087 (E_RNA) where: Base-Base interactions energy: -1535.293 where: short stacking energy: -650.834 Base-Backbone interact. energy: -2.178 local terms energy: -683.015037 where: bonds (distance) C4'-P energy: -118.028 bonds (distance) P-C4' energy: -125.361 flat angles C4'-P-C4' energy: -154.151 flat angles P-C4'-P energy: -97.191 tors. eta vs tors. theta energy: -188.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -2070.928996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.928996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.928996 (E_RNA) where: Base-Base interactions energy: -1444.849 where: short stacking energy: -636.640 Base-Backbone interact. energy: 2.786 local terms energy: -628.865466 where: bonds (distance) C4'-P energy: -118.023 bonds (distance) P-C4' energy: -102.770 flat angles C4'-P-C4' energy: -135.311 flat angles P-C4'-P energy: -84.281 tors. eta vs tors. theta energy: -188.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -2146.117836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.117836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.117836 (E_RNA) where: Base-Base interactions energy: -1501.101 where: short stacking energy: -607.496 Base-Backbone interact. energy: 0.822 local terms energy: -645.838873 where: bonds (distance) C4'-P energy: -108.437 bonds (distance) P-C4' energy: -109.341 flat angles C4'-P-C4' energy: -153.335 flat angles P-C4'-P energy: -98.530 tors. eta vs tors. theta energy: -176.195 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: 7, replica: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1889.653922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.653922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.653922 (E_RNA) where: Base-Base interactions energy: -1314.687 where: short stacking energy: -564.661 Base-Backbone interact. energy: -0.697 local terms energy: -574.270548 where: bonds (distance) C4'-P energy: -91.646 bonds (distance) P-C4' energy: -119.016 flat angles C4'-P-C4' energy: -130.213 flat angles P-C4'-P energy: -88.577 tors. eta vs tors. theta energy: -144.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1672.029103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.029103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.029103 (E_RNA) where: Base-Base interactions energy: -1142.588 where: short stacking energy: -485.826 Base-Backbone interact. energy: 1.157 local terms energy: -530.597662 where: bonds (distance) C4'-P energy: -78.555 bonds (distance) P-C4' energy: -129.806 flat angles C4'-P-C4' energy: -115.457 flat angles P-C4'-P energy: -72.464 tors. eta vs tors. theta energy: -134.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1423.355239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.355239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.355239 (E_RNA) where: Base-Base interactions energy: -944.141 where: short stacking energy: -397.076 Base-Backbone interact. energy: 12.616 local terms energy: -491.829768 where: bonds (distance) C4'-P energy: -105.203 bonds (distance) P-C4' energy: -103.892 flat angles C4'-P-C4' energy: -123.489 flat angles P-C4'-P energy: -77.010 tors. eta vs tors. theta energy: -82.237 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: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -1197.800744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.800744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.800744 (E_RNA) where: Base-Base interactions energy: -745.005 where: short stacking energy: -378.123 Base-Backbone interact. energy: 1.841 local terms energy: -454.636905 where: bonds (distance) C4'-P energy: -105.161 bonds (distance) P-C4' energy: -118.028 flat angles C4'-P-C4' energy: -119.746 flat angles P-C4'-P energy: -48.636 tors. eta vs tors. theta energy: -63.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2411.940410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.940410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.940410 (E_RNA) where: Base-Base interactions energy: -1668.822 where: short stacking energy: -740.495 Base-Backbone interact. energy: -0.209 local terms energy: -742.909631 where: bonds (distance) C4'-P energy: -122.605 bonds (distance) P-C4' energy: -141.476 flat angles C4'-P-C4' energy: -157.868 flat angles P-C4'-P energy: -99.913 tors. eta vs tors. theta energy: -221.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2350.180400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.180400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.180400 (E_RNA) where: Base-Base interactions energy: -1622.652 where: short stacking energy: -694.072 Base-Backbone interact. energy: -4.082 local terms energy: -723.445911 where: bonds (distance) C4'-P energy: -122.832 bonds (distance) P-C4' energy: -126.002 flat angles C4'-P-C4' energy: -161.631 flat angles P-C4'-P energy: -115.623 tors. eta vs tors. theta energy: -197.358 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: 3, replica: 5 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2346.992843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.992843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.992843 (E_RNA) where: Base-Base interactions energy: -1636.474 where: short stacking energy: -664.039 Base-Backbone interact. energy: -3.208 local terms energy: -707.310725 where: bonds (distance) C4'-P energy: -118.266 bonds (distance) P-C4' energy: -123.616 flat angles C4'-P-C4' energy: -154.757 flat angles P-C4'-P energy: -112.999 tors. eta vs tors. theta energy: -197.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2222.179847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.179847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.179847 (E_RNA) where: Base-Base interactions energy: -1559.255 where: short stacking energy: -659.750 Base-Backbone interact. energy: -2.537 local terms energy: -660.387605 where: bonds (distance) C4'-P energy: -109.018 bonds (distance) P-C4' energy: -116.968 flat angles C4'-P-C4' energy: -146.034 flat angles P-C4'-P energy: -96.503 tors. eta vs tors. theta energy: -191.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -2227.659422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.659422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.659422 (E_RNA) where: Base-Base interactions energy: -1565.436 where: short stacking energy: -637.674 Base-Backbone interact. energy: -1.860 local terms energy: -660.363983 where: bonds (distance) C4'-P energy: -112.576 bonds (distance) P-C4' energy: -110.674 flat angles C4'-P-C4' energy: -152.513 flat angles P-C4'-P energy: -93.825 tors. eta vs tors. theta energy: -190.775 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: 4 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1992.334840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.334840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.334840 (E_RNA) where: Base-Base interactions energy: -1363.493 where: short stacking energy: -563.930 Base-Backbone interact. energy: -2.058 local terms energy: -626.783372 where: bonds (distance) C4'-P energy: -111.538 bonds (distance) P-C4' energy: -118.209 flat angles C4'-P-C4' energy: -142.594 flat angles P-C4'-P energy: -83.144 tors. eta vs tors. theta energy: -171.298 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: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1942.844714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.844714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.844714 (E_RNA) where: Base-Base interactions energy: -1343.388 where: short stacking energy: -576.319 Base-Backbone interact. energy: 1.781 local terms energy: -601.238006 where: bonds (distance) C4'-P energy: -80.650 bonds (distance) P-C4' energy: -139.164 flat angles C4'-P-C4' energy: -132.202 flat angles P-C4'-P energy: -83.789 tors. eta vs tors. theta energy: -165.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1659.656703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.656703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.656703 (E_RNA) where: Base-Base interactions energy: -1117.425 where: short stacking energy: -496.456 Base-Backbone interact. energy: -1.060 local terms energy: -541.171579 where: bonds (distance) C4'-P energy: -105.415 bonds (distance) P-C4' energy: -109.259 flat angles C4'-P-C4' energy: -117.214 flat angles P-C4'-P energy: -79.746 tors. eta vs tors. theta energy: -129.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1477.926930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.926930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.926930 (E_RNA) where: Base-Base interactions energy: -987.958 where: short stacking energy: -423.190 Base-Backbone interact. energy: -3.045 local terms energy: -486.924199 where: bonds (distance) C4'-P energy: -90.326 bonds (distance) P-C4' energy: -114.789 flat angles C4'-P-C4' energy: -109.082 flat angles P-C4'-P energy: -71.830 tors. eta vs tors. theta energy: -100.897 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: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -1185.977466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.977466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.977466 (E_RNA) where: Base-Base interactions energy: -770.184 where: short stacking energy: -329.829 Base-Backbone interact. energy: 2.696 local terms energy: -418.488965 where: bonds (distance) C4'-P energy: -99.470 bonds (distance) P-C4' energy: -102.261 flat angles C4'-P-C4' energy: -101.288 flat angles P-C4'-P energy: -63.045 tors. eta vs tors. theta energy: -52.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2449.291566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.291566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.291566 (E_RNA) where: Base-Base interactions energy: -1711.434 where: short stacking energy: -745.569 Base-Backbone interact. energy: 0.427 local terms energy: -738.284913 where: bonds (distance) C4'-P energy: -131.645 bonds (distance) P-C4' energy: -129.808 flat angles C4'-P-C4' energy: -155.590 flat angles P-C4'-P energy: -99.202 tors. eta vs tors. theta energy: -222.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2396.373280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.373280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.373280 (E_RNA) where: Base-Base interactions energy: -1685.130 where: short stacking energy: -709.338 Base-Backbone interact. energy: -1.451 local terms energy: -709.792415 where: bonds (distance) C4'-P energy: -123.800 bonds (distance) P-C4' energy: -131.763 flat angles C4'-P-C4' energy: -147.866 flat angles P-C4'-P energy: -98.135 tors. eta vs tors. theta energy: -208.228 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: 37 Temperature: 1.000000 Total energy: -2342.995799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.995799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.995799 (E_RNA) where: Base-Base interactions energy: -1648.530 where: short stacking energy: -694.532 Base-Backbone interact. energy: 3.973 local terms energy: -698.439113 where: bonds (distance) C4'-P energy: -129.150 bonds (distance) P-C4' energy: -114.313 flat angles C4'-P-C4' energy: -150.809 flat angles P-C4'-P energy: -92.201 tors. eta vs tors. theta energy: -211.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2277.832350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.832350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.832350 (E_RNA) where: Base-Base interactions energy: -1609.794 where: short stacking energy: -643.628 Base-Backbone interact. energy: -0.727 local terms energy: -667.310717 where: bonds (distance) C4'-P energy: -116.436 bonds (distance) P-C4' energy: -126.255 flat angles C4'-P-C4' energy: -147.860 flat angles P-C4'-P energy: -88.309 tors. eta vs tors. theta energy: -188.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -2187.795708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.795708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.795708 (E_RNA) where: Base-Base interactions energy: -1523.713 where: short stacking energy: -646.759 Base-Backbone interact. energy: -1.710 local terms energy: -662.373106 where: bonds (distance) C4'-P energy: -111.281 bonds (distance) P-C4' energy: -113.481 flat angles C4'-P-C4' energy: -148.905 flat angles P-C4'-P energy: -93.027 tors. eta vs tors. theta energy: -195.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1993.818440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.818440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.818440 (E_RNA) where: Base-Base interactions energy: -1395.495 where: short stacking energy: -614.594 Base-Backbone interact. energy: 0.234 local terms energy: -598.557174 where: bonds (distance) C4'-P energy: -82.877 bonds (distance) P-C4' energy: -115.751 flat angles C4'-P-C4' energy: -142.410 flat angles P-C4'-P energy: -83.999 tors. eta vs tors. theta energy: -173.520 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: 7, replica: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1945.425310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.425310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.425310 (E_RNA) where: Base-Base interactions energy: -1338.187 where: short stacking energy: -559.747 Base-Backbone interact. energy: -4.482 local terms energy: -602.755896 where: bonds (distance) C4'-P energy: -118.423 bonds (distance) P-C4' energy: -124.317 flat angles C4'-P-C4' energy: -126.117 flat angles P-C4'-P energy: -91.024 tors. eta vs tors. theta energy: -142.874 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: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1581.811228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.811228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.811228 (E_RNA) where: Base-Base interactions energy: -1049.347 where: short stacking energy: -432.363 Base-Backbone interact. energy: -0.960 local terms energy: -531.504117 where: bonds (distance) C4'-P energy: -123.882 bonds (distance) P-C4' energy: -120.491 flat angles C4'-P-C4' energy: -120.195 flat angles P-C4'-P energy: -61.240 tors. eta vs tors. theta energy: -105.696 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: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1442.479731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.479731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.479731 (E_RNA) where: Base-Base interactions energy: -958.767 where: short stacking energy: -414.197 Base-Backbone interact. energy: 0.265 local terms energy: -483.977527 where: bonds (distance) C4'-P energy: -118.881 bonds (distance) P-C4' energy: -93.381 flat angles C4'-P-C4' energy: -121.768 flat angles P-C4'-P energy: -52.429 tors. eta vs tors. theta energy: -97.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -1153.265819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.265819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.265819 (E_RNA) where: Base-Base interactions energy: -720.708 where: short stacking energy: -321.241 Base-Backbone interact. energy: -2.088 local terms energy: -430.469400 where: bonds (distance) C4'-P energy: -86.653 bonds (distance) P-C4' energy: -114.208 flat angles C4'-P-C4' energy: -122.556 flat angles P-C4'-P energy: -53.572 tors. eta vs tors. theta energy: -53.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2416.895455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.895455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.895455 (E_RNA) where: Base-Base interactions energy: -1693.059 where: short stacking energy: -715.519 Base-Backbone interact. energy: -4.405 local terms energy: -719.431669 where: bonds (distance) C4'-P energy: -125.896 bonds (distance) P-C4' energy: -132.220 flat angles C4'-P-C4' energy: -155.623 flat angles P-C4'-P energy: -93.022 tors. eta vs tors. theta energy: -212.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2381.712166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.712166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.712166 (E_RNA) where: Base-Base interactions energy: -1646.350 where: short stacking energy: -713.297 Base-Backbone interact. energy: -2.571 local terms energy: -732.790989 where: bonds (distance) C4'-P energy: -127.121 bonds (distance) P-C4' energy: -140.340 flat angles C4'-P-C4' energy: -155.295 flat angles P-C4'-P energy: -97.788 tors. eta vs tors. theta energy: -212.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2322.568827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.568827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.568827 (E_RNA) where: Base-Base interactions energy: -1617.383 where: short stacking energy: -650.066 Base-Backbone interact. energy: -1.862 local terms energy: -703.323742 where: bonds (distance) C4'-P energy: -124.964 bonds (distance) P-C4' energy: -129.615 flat angles C4'-P-C4' energy: -147.218 flat angles P-C4'-P energy: -104.734 tors. eta vs tors. theta energy: -196.793 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: 4, replica: 7 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2238.997858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.997858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.997858 (E_RNA) where: Base-Base interactions energy: -1578.820 where: short stacking energy: -648.808 Base-Backbone interact. energy: -2.155 local terms energy: -658.022313 where: bonds (distance) C4'-P energy: -105.296 bonds (distance) P-C4' energy: -125.915 flat angles C4'-P-C4' energy: -140.297 flat angles P-C4'-P energy: -90.867 tors. eta vs tors. theta energy: -195.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2128.308175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.308175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.308175 (E_RNA) where: Base-Base interactions energy: -1475.728 where: short stacking energy: -591.760 Base-Backbone interact. energy: -2.907 local terms energy: -649.672663 where: bonds (distance) C4'-P energy: -116.199 bonds (distance) P-C4' energy: -124.394 flat angles C4'-P-C4' energy: -139.968 flat angles P-C4'-P energy: -94.511 tors. eta vs tors. theta energy: -174.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1991.337736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.337736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.337736 (E_RNA) where: Base-Base interactions energy: -1394.347 where: short stacking energy: -586.736 Base-Backbone interact. energy: -1.811 local terms energy: -595.180313 where: bonds (distance) C4'-P energy: -109.890 bonds (distance) P-C4' energy: -106.102 flat angles C4'-P-C4' energy: -140.003 flat angles P-C4'-P energy: -74.266 tors. eta vs tors. theta energy: -164.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1990.279417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.279417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.279417 (E_RNA) where: Base-Base interactions energy: -1370.272 where: short stacking energy: -555.904 Base-Backbone interact. energy: -2.893 local terms energy: -617.114978 where: bonds (distance) C4'-P energy: -101.095 bonds (distance) P-C4' energy: -122.048 flat angles C4'-P-C4' energy: -136.243 flat angles P-C4'-P energy: -95.023 tors. eta vs tors. theta energy: -162.705 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: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1586.824994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.824994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.824994 (E_RNA) where: Base-Base interactions energy: -1050.461 where: short stacking energy: -461.979 Base-Backbone interact. energy: 3.452 local terms energy: -539.815401 where: bonds (distance) C4'-P energy: -114.761 bonds (distance) P-C4' energy: -120.119 flat angles C4'-P-C4' energy: -126.087 flat angles P-C4'-P energy: -66.728 tors. eta vs tors. theta energy: -112.120 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: 38 Temperature: 1.300000 Total energy: -1473.800230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.800230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.800230 (E_RNA) where: Base-Base interactions energy: -969.905 where: short stacking energy: -425.532 Base-Backbone interact. energy: 1.589 local terms energy: -505.484236 where: bonds (distance) C4'-P energy: -81.305 bonds (distance) P-C4' energy: -113.047 flat angles C4'-P-C4' energy: -109.532 flat angles P-C4'-P energy: -89.713 tors. eta vs tors. theta energy: -111.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -1184.401159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.401159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.401159 (E_RNA) where: Base-Base interactions energy: -738.872 where: short stacking energy: -345.917 Base-Backbone interact. energy: 2.057 local terms energy: -447.586464 where: bonds (distance) C4'-P energy: -105.306 bonds (distance) P-C4' energy: -105.253 flat angles C4'-P-C4' energy: -114.113 flat angles P-C4'-P energy: -63.065 tors. eta vs tors. theta energy: -59.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2431.871168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.871168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.871168 (E_RNA) where: Base-Base interactions energy: -1693.895 where: short stacking energy: -712.117 Base-Backbone interact. energy: -2.909 local terms energy: -735.067161 where: bonds (distance) C4'-P energy: -131.048 bonds (distance) P-C4' energy: -132.347 flat angles C4'-P-C4' energy: -156.926 flat angles P-C4'-P energy: -104.416 tors. eta vs tors. theta energy: -210.329 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: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2389.154575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.154575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.154575 (E_RNA) where: Base-Base interactions energy: -1679.223 where: short stacking energy: -702.933 Base-Backbone interact. energy: -3.039 local terms energy: -706.892513 where: bonds (distance) C4'-P energy: -116.595 bonds (distance) P-C4' energy: -116.670 flat angles C4'-P-C4' energy: -161.863 flat angles P-C4'-P energy: -97.146 tors. eta vs tors. theta energy: -214.619 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: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2312.603805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.603805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.603805 (E_RNA) where: Base-Base interactions energy: -1611.196 where: short stacking energy: -682.086 Base-Backbone interact. energy: -0.904 local terms energy: -700.503498 where: bonds (distance) C4'-P energy: -127.820 bonds (distance) P-C4' energy: -134.877 flat angles C4'-P-C4' energy: -134.382 flat angles P-C4'-P energy: -100.067 tors. eta vs tors. theta energy: -203.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2268.392978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.392978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.392978 (E_RNA) where: Base-Base interactions energy: -1583.698 where: short stacking energy: -648.770 Base-Backbone interact. energy: -0.783 local terms energy: -683.911974 where: bonds (distance) C4'-P energy: -131.467 bonds (distance) P-C4' energy: -119.377 flat angles C4'-P-C4' energy: -156.618 flat angles P-C4'-P energy: -94.521 tors. eta vs tors. theta energy: -181.928 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: 3 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2091.442539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.442539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.442539 (E_RNA) where: Base-Base interactions energy: -1467.929 where: short stacking energy: -636.179 Base-Backbone interact. energy: -2.501 local terms energy: -621.012693 where: bonds (distance) C4'-P energy: -124.970 bonds (distance) P-C4' energy: -106.154 flat angles C4'-P-C4' energy: -130.665 flat angles P-C4'-P energy: -80.672 tors. eta vs tors. theta energy: -178.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1891.453309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.453309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.453309 (E_RNA) where: Base-Base interactions energy: -1300.629 where: short stacking energy: -551.686 Base-Backbone interact. energy: 1.455 local terms energy: -592.279526 where: bonds (distance) C4'-P energy: -123.678 bonds (distance) P-C4' energy: -107.388 flat angles C4'-P-C4' energy: -134.518 flat angles P-C4'-P energy: -81.379 tors. eta vs tors. theta energy: -145.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1982.813765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.813765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.813765 (E_RNA) where: Base-Base interactions energy: -1353.195 where: short stacking energy: -561.573 Base-Backbone interact. energy: -1.313 local terms energy: -628.305888 where: bonds (distance) C4'-P energy: -117.412 bonds (distance) P-C4' energy: -123.396 flat angles C4'-P-C4' energy: -133.566 flat angles P-C4'-P energy: -90.100 tors. eta vs tors. theta energy: -163.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1567.849927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.849927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.849927 (E_RNA) where: Base-Base interactions energy: -1080.519 where: short stacking energy: -472.915 Base-Backbone interact. energy: -3.221 local terms energy: -484.109381 where: bonds (distance) C4'-P energy: -78.879 bonds (distance) P-C4' energy: -102.821 flat angles C4'-P-C4' energy: -121.568 flat angles P-C4'-P energy: -74.488 tors. eta vs tors. theta energy: -106.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1410.009949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.009949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.009949 (E_RNA) where: Base-Base interactions energy: -910.955 where: short stacking energy: -402.877 Base-Backbone interact. energy: 1.882 local terms energy: -500.937310 where: bonds (distance) C4'-P energy: -107.227 bonds (distance) P-C4' energy: -118.703 flat angles C4'-P-C4' energy: -112.023 flat angles P-C4'-P energy: -73.444 tors. eta vs tors. theta energy: -89.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -1230.834766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.834766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.834766 (E_RNA) where: Base-Base interactions energy: -807.972 where: short stacking energy: -355.393 Base-Backbone interact. energy: -2.482 local terms energy: -420.380912 where: bonds (distance) C4'-P energy: -99.178 bonds (distance) P-C4' energy: -105.054 flat angles C4'-P-C4' energy: -97.511 flat angles P-C4'-P energy: -61.107 tors. eta vs tors. theta energy: -57.531 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: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2442.562567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.562567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.562567 (E_RNA) where: Base-Base interactions energy: -1709.639 where: short stacking energy: -735.484 Base-Backbone interact. energy: -2.499 local terms energy: -730.424873 where: bonds (distance) C4'-P energy: -130.805 bonds (distance) P-C4' energy: -119.226 flat angles C4'-P-C4' energy: -153.947 flat angles P-C4'-P energy: -108.902 tors. eta vs tors. theta energy: -217.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2394.117479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.117479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.117479 (E_RNA) where: Base-Base interactions energy: -1649.679 where: short stacking energy: -697.554 Base-Backbone interact. energy: -0.136 local terms energy: -744.302299 where: bonds (distance) C4'-P energy: -131.711 bonds (distance) P-C4' energy: -130.275 flat angles C4'-P-C4' energy: -155.023 flat angles P-C4'-P energy: -107.662 tors. eta vs tors. theta energy: -219.632 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: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2313.089025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.089025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.089025 (E_RNA) where: Base-Base interactions energy: -1613.307 where: short stacking energy: -689.615 Base-Backbone interact. energy: -3.149 local terms energy: -696.633292 where: bonds (distance) C4'-P energy: -123.704 bonds (distance) P-C4' energy: -115.594 flat angles C4'-P-C4' energy: -137.973 flat angles P-C4'-P energy: -116.050 tors. eta vs tors. theta energy: -203.312 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: 7 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2265.477696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.477696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.477696 (E_RNA) where: Base-Base interactions energy: -1605.808 where: short stacking energy: -676.557 Base-Backbone interact. energy: 1.578 local terms energy: -661.247177 where: bonds (distance) C4'-P energy: -106.546 bonds (distance) P-C4' energy: -122.051 flat angles C4'-P-C4' energy: -149.060 flat angles P-C4'-P energy: -95.816 tors. eta vs tors. theta energy: -187.774 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: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2137.524284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.524284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.524284 (E_RNA) where: Base-Base interactions energy: -1482.866 where: short stacking energy: -623.751 Base-Backbone interact. energy: -1.640 local terms energy: -653.018234 where: bonds (distance) C4'-P energy: -123.653 bonds (distance) P-C4' energy: -121.519 flat angles C4'-P-C4' energy: -139.866 flat angles P-C4'-P energy: -90.178 tors. eta vs tors. theta energy: -177.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1967.633822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.633822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.633822 (E_RNA) where: Base-Base interactions energy: -1350.163 where: short stacking energy: -589.929 Base-Backbone interact. energy: -2.946 local terms energy: -614.525204 where: bonds (distance) C4'-P energy: -115.143 bonds (distance) P-C4' energy: -119.476 flat angles C4'-P-C4' energy: -127.708 flat angles P-C4'-P energy: -75.586 tors. eta vs tors. theta energy: -176.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1975.655647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.655647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.655647 (E_RNA) where: Base-Base interactions energy: -1371.937 where: short stacking energy: -559.121 Base-Backbone interact. energy: -0.738 local terms energy: -602.980700 where: bonds (distance) C4'-P energy: -120.375 bonds (distance) P-C4' energy: -122.281 flat angles C4'-P-C4' energy: -126.212 flat angles P-C4'-P energy: -72.717 tors. eta vs tors. theta energy: -161.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1581.305313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.305313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.305313 (E_RNA) where: Base-Base interactions energy: -1050.311 where: short stacking energy: -467.005 Base-Backbone interact. energy: -2.935 local terms energy: -528.059061 where: bonds (distance) C4'-P energy: -107.662 bonds (distance) P-C4' energy: -85.949 flat angles C4'-P-C4' energy: -133.500 flat angles P-C4'-P energy: -74.921 tors. eta vs tors. theta energy: -126.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1456.544897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.544897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.544897 (E_RNA) where: Base-Base interactions energy: -943.164 where: short stacking energy: -441.098 Base-Backbone interact. energy: 2.272 local terms energy: -515.652014 where: bonds (distance) C4'-P energy: -104.847 bonds (distance) P-C4' energy: -107.201 flat angles C4'-P-C4' energy: -113.493 flat angles P-C4'-P energy: -87.645 tors. eta vs tors. theta energy: -102.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -1293.392941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.392941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.392941 (E_RNA) where: Base-Base interactions energy: -817.005 where: short stacking energy: -361.561 Base-Backbone interact. energy: -1.421 local terms energy: -474.966863 where: bonds (distance) C4'-P energy: -111.613 bonds (distance) P-C4' energy: -113.236 flat angles C4'-P-C4' energy: -118.301 flat angles P-C4'-P energy: -61.856 tors. eta vs tors. theta energy: -69.962 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: 41 Temperature: 0.900000 Total energy: -2447.864676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.864676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.864676 (E_RNA) where: Base-Base interactions energy: -1700.243 where: short stacking energy: -711.007 Base-Backbone interact. energy: -2.864 local terms energy: -744.757681 where: bonds (distance) C4'-P energy: -136.818 bonds (distance) P-C4' energy: -134.301 flat angles C4'-P-C4' energy: -151.387 flat angles P-C4'-P energy: -111.108 tors. eta vs tors. theta energy: -211.144 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: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2415.660110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.660110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.660110 (E_RNA) where: Base-Base interactions energy: -1682.957 where: short stacking energy: -702.803 Base-Backbone interact. energy: -1.453 local terms energy: -731.250344 where: bonds (distance) C4'-P energy: -121.651 bonds (distance) P-C4' energy: -129.712 flat angles C4'-P-C4' energy: -156.595 flat angles P-C4'-P energy: -108.932 tors. eta vs tors. theta energy: -214.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2322.568790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.568790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.568790 (E_RNA) where: Base-Base interactions energy: -1605.986 where: short stacking energy: -704.069 Base-Backbone interact. energy: -2.929 local terms energy: -713.653950 where: bonds (distance) C4'-P energy: -120.828 bonds (distance) P-C4' energy: -134.355 flat angles C4'-P-C4' energy: -158.904 flat angles P-C4'-P energy: -95.073 tors. eta vs tors. theta energy: -204.494 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: 4, replica: 7 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2264.946248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.946248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.946248 (E_RNA) where: Base-Base interactions energy: -1597.560 where: short stacking energy: -669.773 Base-Backbone interact. energy: -3.687 local terms energy: -663.699186 where: bonds (distance) C4'-P energy: -119.002 bonds (distance) P-C4' energy: -125.338 flat angles C4'-P-C4' energy: -145.820 flat angles P-C4'-P energy: -88.335 tors. eta vs tors. theta energy: -185.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2091.135092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.135092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.135092 (E_RNA) where: Base-Base interactions energy: -1442.922 where: short stacking energy: -610.599 Base-Backbone interact. energy: -1.499 local terms energy: -646.713562 where: bonds (distance) C4'-P energy: -121.914 bonds (distance) P-C4' energy: -114.155 flat angles C4'-P-C4' energy: -133.494 flat angles P-C4'-P energy: -92.174 tors. eta vs tors. theta energy: -184.976 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: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1965.661194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.661194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.661194 (E_RNA) where: Base-Base interactions energy: -1374.276 where: short stacking energy: -576.020 Base-Backbone interact. energy: 1.251 local terms energy: -592.636261 where: bonds (distance) C4'-P energy: -112.554 bonds (distance) P-C4' energy: -111.633 flat angles C4'-P-C4' energy: -115.766 flat angles P-C4'-P energy: -75.040 tors. eta vs tors. theta energy: -177.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1926.621658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.621658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.621658 (E_RNA) where: Base-Base interactions energy: -1328.126 where: short stacking energy: -573.820 Base-Backbone interact. energy: 4.609 local terms energy: -603.104430 where: bonds (distance) C4'-P energy: -122.492 bonds (distance) P-C4' energy: -124.373 flat angles C4'-P-C4' energy: -127.177 flat angles P-C4'-P energy: -80.062 tors. eta vs tors. theta energy: -149.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1510.114676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.114676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.114676 (E_RNA) where: Base-Base interactions energy: -1013.323 where: short stacking energy: -446.524 Base-Backbone interact. energy: -2.306 local terms energy: -494.485708 where: bonds (distance) C4'-P energy: -80.079 bonds (distance) P-C4' energy: -105.613 flat angles C4'-P-C4' energy: -118.665 flat angles P-C4'-P energy: -72.441 tors. eta vs tors. theta energy: -117.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1305.770412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.770412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.770412 (E_RNA) where: Base-Base interactions energy: -849.676 where: short stacking energy: -369.860 Base-Backbone interact. energy: 1.927 local terms energy: -458.021177 where: bonds (distance) C4'-P energy: -86.266 bonds (distance) P-C4' energy: -104.254 flat angles C4'-P-C4' energy: -119.386 flat angles P-C4'-P energy: -73.693 tors. eta vs tors. theta energy: -74.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -1189.078911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.078911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.078911 (E_RNA) where: Base-Base interactions energy: -736.905 where: short stacking energy: -328.768 Base-Backbone interact. energy: -4.226 local terms energy: -447.948330 where: bonds (distance) C4'-P energy: -92.240 bonds (distance) P-C4' energy: -117.520 flat angles C4'-P-C4' energy: -98.728 flat angles P-C4'-P energy: -79.517 tors. eta vs tors. theta energy: -59.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2445.788071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.788071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.788071 (E_RNA) where: Base-Base interactions energy: -1688.612 where: short stacking energy: -706.696 Base-Backbone interact. energy: -2.395 local terms energy: -754.781774 where: bonds (distance) C4'-P energy: -142.047 bonds (distance) P-C4' energy: -130.176 flat angles C4'-P-C4' energy: -158.739 flat angles P-C4'-P energy: -114.483 tors. eta vs tors. theta energy: -209.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2409.634083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.634083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.634083 (E_RNA) where: Base-Base interactions energy: -1715.981 where: short stacking energy: -709.704 Base-Backbone interact. energy: -1.777 local terms energy: -691.875947 where: bonds (distance) C4'-P energy: -110.488 bonds (distance) P-C4' energy: -126.655 flat angles C4'-P-C4' energy: -152.131 flat angles P-C4'-P energy: -91.826 tors. eta vs tors. theta energy: -210.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2288.058161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.058161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.058161 (E_RNA) where: Base-Base interactions energy: -1575.465 where: short stacking energy: -675.569 Base-Backbone interact. energy: -1.550 local terms energy: -711.043124 where: bonds (distance) C4'-P energy: -120.818 bonds (distance) P-C4' energy: -130.768 flat angles C4'-P-C4' energy: -154.006 flat angles P-C4'-P energy: -97.259 tors. eta vs tors. theta energy: -208.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2271.294990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.294990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.294990 (E_RNA) where: Base-Base interactions energy: -1591.853 where: short stacking energy: -667.895 Base-Backbone interact. energy: -2.925 local terms energy: -676.517334 where: bonds (distance) C4'-P energy: -129.825 bonds (distance) P-C4' energy: -120.639 flat angles C4'-P-C4' energy: -142.539 flat angles P-C4'-P energy: -102.666 tors. eta vs tors. theta energy: -180.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2144.997139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.997139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.997139 (E_RNA) where: Base-Base interactions energy: -1484.924 where: short stacking energy: -623.948 Base-Backbone interact. energy: 3.126 local terms energy: -663.199283 where: bonds (distance) C4'-P energy: -111.026 bonds (distance) P-C4' energy: -119.714 flat angles C4'-P-C4' energy: -139.233 flat angles P-C4'-P energy: -102.669 tors. eta vs tors. theta energy: -190.558 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: 42 Temperature: 1.150000 Total energy: -1905.391886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.391886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.391886 (E_RNA) where: Base-Base interactions energy: -1306.646 where: short stacking energy: -553.339 Base-Backbone interact. energy: -5.262 local terms energy: -593.483661 where: bonds (distance) C4'-P energy: -110.034 bonds (distance) P-C4' energy: -103.458 flat angles C4'-P-C4' energy: -146.573 flat angles P-C4'-P energy: -85.121 tors. eta vs tors. theta energy: -148.298 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: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1947.282667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.282667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.282667 (E_RNA) where: Base-Base interactions energy: -1338.785 where: short stacking energy: -551.629 Base-Backbone interact. energy: -3.479 local terms energy: -605.018787 where: bonds (distance) C4'-P energy: -98.585 bonds (distance) P-C4' energy: -124.814 flat angles C4'-P-C4' energy: -136.773 flat angles P-C4'-P energy: -90.969 tors. eta vs tors. theta energy: -153.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1523.506706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.506706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.506706 (E_RNA) where: Base-Base interactions energy: -1018.190 where: short stacking energy: -444.499 Base-Backbone interact. energy: -2.766 local terms energy: -502.550727 where: bonds (distance) C4'-P energy: -100.742 bonds (distance) P-C4' energy: -104.158 flat angles C4'-P-C4' energy: -116.516 flat angles P-C4'-P energy: -75.435 tors. eta vs tors. theta energy: -105.700 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: 42 Temperature: 1.300000 Total energy: -1219.103816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.103816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.103816 (E_RNA) where: Base-Base interactions energy: -721.113 where: short stacking energy: -336.857 Base-Backbone interact. energy: 0.324 local terms energy: -498.314057 where: bonds (distance) C4'-P energy: -114.631 bonds (distance) P-C4' energy: -112.889 flat angles C4'-P-C4' energy: -120.874 flat angles P-C4'-P energy: -73.089 tors. eta vs tors. theta energy: -76.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -1174.572919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.572919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.572919 (E_RNA) where: Base-Base interactions energy: -759.046 where: short stacking energy: -358.142 Base-Backbone interact. energy: 0.460 local terms energy: -415.986500 where: bonds (distance) C4'-P energy: -86.431 bonds (distance) P-C4' energy: -108.286 flat angles C4'-P-C4' energy: -107.127 flat angles P-C4'-P energy: -61.656 tors. eta vs tors. theta energy: -52.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2447.325802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.325802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.325802 (E_RNA) where: Base-Base interactions energy: -1692.575 where: short stacking energy: -718.386 Base-Backbone interact. energy: -2.842 local terms energy: -751.908583 where: bonds (distance) C4'-P energy: -126.693 bonds (distance) P-C4' energy: -130.413 flat angles C4'-P-C4' energy: -161.845 flat angles P-C4'-P energy: -118.233 tors. eta vs tors. theta energy: -214.724 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: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2392.806279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.806279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.806279 (E_RNA) where: Base-Base interactions energy: -1662.062 where: short stacking energy: -680.090 Base-Backbone interact. energy: -1.290 local terms energy: -729.454485 where: bonds (distance) C4'-P energy: -122.299 bonds (distance) P-C4' energy: -134.337 flat angles C4'-P-C4' energy: -149.893 flat angles P-C4'-P energy: -109.327 tors. eta vs tors. theta energy: -213.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2322.708584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.708584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.708584 (E_RNA) where: Base-Base interactions energy: -1618.217 where: short stacking energy: -697.351 Base-Backbone interact. energy: 0.240 local terms energy: -704.731597 where: bonds (distance) C4'-P energy: -122.875 bonds (distance) P-C4' energy: -120.979 flat angles C4'-P-C4' energy: -148.144 flat angles P-C4'-P energy: -95.108 tors. eta vs tors. theta energy: -217.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2259.911756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.911756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.911756 (E_RNA) where: Base-Base interactions energy: -1591.650 where: short stacking energy: -652.108 Base-Backbone interact. energy: -1.130 local terms energy: -667.131357 where: bonds (distance) C4'-P energy: -101.264 bonds (distance) P-C4' energy: -128.228 flat angles C4'-P-C4' energy: -153.182 flat angles P-C4'-P energy: -95.037 tors. eta vs tors. theta energy: -189.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2153.248036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.248036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.248036 (E_RNA) where: Base-Base interactions energy: -1499.590 where: short stacking energy: -632.572 Base-Backbone interact. energy: -3.946 local terms energy: -649.711858 where: bonds (distance) C4'-P energy: -119.540 bonds (distance) P-C4' energy: -112.538 flat angles C4'-P-C4' energy: -133.576 flat angles P-C4'-P energy: -93.502 tors. eta vs tors. theta energy: -190.556 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: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1977.916320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.916320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.916320 (E_RNA) where: Base-Base interactions energy: -1378.273 where: short stacking energy: -600.589 Base-Backbone interact. energy: -2.478 local terms energy: -597.164986 where: bonds (distance) C4'-P energy: -116.563 bonds (distance) P-C4' energy: -109.867 flat angles C4'-P-C4' energy: -124.497 flat angles P-C4'-P energy: -76.337 tors. eta vs tors. theta energy: -169.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1836.215388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.215388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.215388 (E_RNA) where: Base-Base interactions energy: -1248.859 where: short stacking energy: -529.072 Base-Backbone interact. energy: -3.343 local terms energy: -584.013393 where: bonds (distance) C4'-P energy: -107.838 bonds (distance) P-C4' energy: -120.512 flat angles C4'-P-C4' energy: -123.822 flat angles P-C4'-P energy: -79.592 tors. eta vs tors. theta energy: -152.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1486.725983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.725983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.725983 (E_RNA) where: Base-Base interactions energy: -1005.881 where: short stacking energy: -435.713 Base-Backbone interact. energy: -3.331 local terms energy: -477.514238 where: bonds (distance) C4'-P energy: -98.372 bonds (distance) P-C4' energy: -121.811 flat angles C4'-P-C4' energy: -106.262 flat angles P-C4'-P energy: -64.498 tors. eta vs tors. theta energy: -86.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1254.736561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.736561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.736561 (E_RNA) where: Base-Base interactions energy: -801.371 where: short stacking energy: -399.017 Base-Backbone interact. energy: -1.439 local terms energy: -451.926308 where: bonds (distance) C4'-P energy: -94.581 bonds (distance) P-C4' energy: -103.777 flat angles C4'-P-C4' energy: -107.184 flat angles P-C4'-P energy: -69.042 tors. eta vs tors. theta energy: -77.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -1219.708517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.708517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.708517 (E_RNA) where: Base-Base interactions energy: -747.949 where: short stacking energy: -336.209 Base-Backbone interact. energy: 5.620 local terms energy: -477.379110 where: bonds (distance) C4'-P energy: -113.394 bonds (distance) P-C4' energy: -105.414 flat angles C4'-P-C4' energy: -119.983 flat angles P-C4'-P energy: -80.564 tors. eta vs tors. theta energy: -58.024 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: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2441.518301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.518301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.518301 (E_RNA) where: Base-Base interactions energy: -1711.570 where: short stacking energy: -725.056 Base-Backbone interact. energy: -5.218 local terms energy: -724.730532 where: bonds (distance) C4'-P energy: -125.227 bonds (distance) P-C4' energy: -131.356 flat angles C4'-P-C4' energy: -150.523 flat angles P-C4'-P energy: -101.131 tors. eta vs tors. theta energy: -216.494 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: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2373.834224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.834224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.834224 (E_RNA) where: Base-Base interactions energy: -1648.188 where: short stacking energy: -688.435 Base-Backbone interact. energy: -4.845 local terms energy: -720.801512 where: bonds (distance) C4'-P energy: -135.160 bonds (distance) P-C4' energy: -127.082 flat angles C4'-P-C4' energy: -148.160 flat angles P-C4'-P energy: -106.425 tors. eta vs tors. theta energy: -203.974 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: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2313.276853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.276853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.276853 (E_RNA) where: Base-Base interactions energy: -1623.472 where: short stacking energy: -709.191 Base-Backbone interact. energy: 0.128 local terms energy: -689.932974 where: bonds (distance) C4'-P energy: -125.155 bonds (distance) P-C4' energy: -106.726 flat angles C4'-P-C4' energy: -154.658 flat angles P-C4'-P energy: -99.449 tors. eta vs tors. theta energy: -203.944 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: 4, replica: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2233.925187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.925187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.925187 (E_RNA) where: Base-Base interactions energy: -1563.373 where: short stacking energy: -651.749 Base-Backbone interact. energy: -1.574 local terms energy: -668.978157 where: bonds (distance) C4'-P energy: -117.957 bonds (distance) P-C4' energy: -118.956 flat angles C4'-P-C4' energy: -146.047 flat angles P-C4'-P energy: -94.774 tors. eta vs tors. theta energy: -191.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2132.711413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.711413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.711413 (E_RNA) where: Base-Base interactions energy: -1466.852 where: short stacking energy: -628.604 Base-Backbone interact. energy: 0.640 local terms energy: -666.499367 where: bonds (distance) C4'-P energy: -117.487 bonds (distance) P-C4' energy: -117.971 flat angles C4'-P-C4' energy: -138.030 flat angles P-C4'-P energy: -97.754 tors. eta vs tors. theta energy: -195.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -2033.134283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.134283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.134283 (E_RNA) where: Base-Base interactions energy: -1410.037 where: short stacking energy: -586.720 Base-Backbone interact. energy: 2.043 local terms energy: -625.140234 where: bonds (distance) C4'-P energy: -113.963 bonds (distance) P-C4' energy: -117.883 flat angles C4'-P-C4' energy: -143.593 flat angles P-C4'-P energy: -75.482 tors. eta vs tors. theta energy: -174.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1772.651149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.651149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.651149 (E_RNA) where: Base-Base interactions energy: -1210.091 where: short stacking energy: -524.548 Base-Backbone interact. energy: -2.444 local terms energy: -560.116600 where: bonds (distance) C4'-P energy: -110.283 bonds (distance) P-C4' energy: -125.092 flat angles C4'-P-C4' energy: -127.502 flat angles P-C4'-P energy: -77.653 tors. eta vs tors. theta energy: -119.585 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: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1528.803683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.803683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.803683 (E_RNA) where: Base-Base interactions energy: -990.335 where: short stacking energy: -441.641 Base-Backbone interact. energy: 0.969 local terms energy: -539.436837 where: bonds (distance) C4'-P energy: -122.242 bonds (distance) P-C4' energy: -107.892 flat angles C4'-P-C4' energy: -110.176 flat angles P-C4'-P energy: -80.479 tors. eta vs tors. theta energy: -118.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1270.396301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.396301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.396301 (E_RNA) where: Base-Base interactions energy: -813.483 where: short stacking energy: -350.329 Base-Backbone interact. energy: 5.161 local terms energy: -462.074783 where: bonds (distance) C4'-P energy: -117.269 bonds (distance) P-C4' energy: -92.517 flat angles C4'-P-C4' energy: -101.607 flat angles P-C4'-P energy: -89.829 tors. eta vs tors. theta energy: -60.853 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: 44 Temperature: 1.350000 Total energy: -1208.316915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.316915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.316915 (E_RNA) where: Base-Base interactions energy: -766.930 where: short stacking energy: -325.727 Base-Backbone interact. energy: 4.992 local terms energy: -446.379443 where: bonds (distance) C4'-P energy: -88.459 bonds (distance) P-C4' energy: -115.438 flat angles C4'-P-C4' energy: -119.132 flat angles P-C4'-P energy: -70.200 tors. eta vs tors. theta energy: -53.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2419.933005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.933005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.933005 (E_RNA) where: Base-Base interactions energy: -1694.090 where: short stacking energy: -731.502 Base-Backbone interact. energy: -2.801 local terms energy: -723.042391 where: bonds (distance) C4'-P energy: -138.577 bonds (distance) P-C4' energy: -119.505 flat angles C4'-P-C4' energy: -153.111 flat angles P-C4'-P energy: -97.325 tors. eta vs tors. theta energy: -214.525 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: 5 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2353.386783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.386783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.386783 (E_RNA) where: Base-Base interactions energy: -1609.604 where: short stacking energy: -668.526 Base-Backbone interact. energy: -2.420 local terms energy: -741.363692 where: bonds (distance) C4'-P energy: -130.395 bonds (distance) P-C4' energy: -145.129 flat angles C4'-P-C4' energy: -146.911 flat angles P-C4'-P energy: -108.180 tors. eta vs tors. theta energy: -210.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2358.336964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.336964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.336964 (E_RNA) where: Base-Base interactions energy: -1657.581 where: short stacking energy: -684.401 Base-Backbone interact. energy: -0.948 local terms energy: -699.807616 where: bonds (distance) C4'-P energy: -135.362 bonds (distance) P-C4' energy: -133.881 flat angles C4'-P-C4' energy: -139.279 flat angles P-C4'-P energy: -85.475 tors. eta vs tors. theta energy: -205.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2254.662472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.662472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.662472 (E_RNA) where: Base-Base interactions energy: -1564.348 where: short stacking energy: -657.159 Base-Backbone interact. energy: -5.418 local terms energy: -684.896656 where: bonds (distance) C4'-P energy: -118.833 bonds (distance) P-C4' energy: -121.531 flat angles C4'-P-C4' energy: -155.217 flat angles P-C4'-P energy: -103.479 tors. eta vs tors. theta energy: -185.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2096.416655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.416655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.416655 (E_RNA) where: Base-Base interactions energy: -1442.527 where: short stacking energy: -603.006 Base-Backbone interact. energy: -3.380 local terms energy: -650.510586 where: bonds (distance) C4'-P energy: -114.885 bonds (distance) P-C4' energy: -111.770 flat angles C4'-P-C4' energy: -132.017 flat angles P-C4'-P energy: -104.111 tors. eta vs tors. theta energy: -187.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -2064.586311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.586311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.586311 (E_RNA) where: Base-Base interactions energy: -1453.701 where: short stacking energy: -623.009 Base-Backbone interact. energy: -1.686 local terms energy: -609.198521 where: bonds (distance) C4'-P energy: -89.445 bonds (distance) P-C4' energy: -102.017 flat angles C4'-P-C4' energy: -135.627 flat angles P-C4'-P energy: -96.197 tors. eta vs tors. theta energy: -185.913 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: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1689.691058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.691058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.691058 (E_RNA) where: Base-Base interactions energy: -1147.465 where: short stacking energy: -507.670 Base-Backbone interact. energy: -0.822 local terms energy: -541.403482 where: bonds (distance) C4'-P energy: -92.633 bonds (distance) P-C4' energy: -90.774 flat angles C4'-P-C4' energy: -134.068 flat angles P-C4'-P energy: -86.976 tors. eta vs tors. theta energy: -136.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1554.410193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.410193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.410193 (E_RNA) where: Base-Base interactions energy: -1020.764 where: short stacking energy: -450.961 Base-Backbone interact. energy: -4.053 local terms energy: -529.593533 where: bonds (distance) C4'-P energy: -114.559 bonds (distance) P-C4' energy: -113.956 flat angles C4'-P-C4' energy: -124.467 flat angles P-C4'-P energy: -62.797 tors. eta vs tors. theta energy: -113.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1332.615447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.615447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.615447 (E_RNA) where: Base-Base interactions energy: -841.826 where: short stacking energy: -356.499 Base-Backbone interact. energy: 0.358 local terms energy: -491.148187 where: bonds (distance) C4'-P energy: -122.883 bonds (distance) P-C4' energy: -128.260 flat angles C4'-P-C4' energy: -93.066 flat angles P-C4'-P energy: -67.351 tors. eta vs tors. theta energy: -79.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -1171.619610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.619610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.619610 (E_RNA) where: Base-Base interactions energy: -748.915 where: short stacking energy: -327.502 Base-Backbone interact. energy: -2.577 local terms energy: -420.126752 where: bonds (distance) C4'-P energy: -113.603 bonds (distance) P-C4' energy: -87.611 flat angles C4'-P-C4' energy: -115.992 flat angles P-C4'-P energy: -52.222 tors. eta vs tors. theta energy: -50.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2410.664116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.664116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.664116 (E_RNA) where: Base-Base interactions energy: -1670.060 where: short stacking energy: -714.372 Base-Backbone interact. energy: -0.560 local terms energy: -740.044397 where: bonds (distance) C4'-P energy: -116.761 bonds (distance) P-C4' energy: -143.608 flat angles C4'-P-C4' energy: -156.490 flat angles P-C4'-P energy: -110.679 tors. eta vs tors. theta energy: -212.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2406.272482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.272482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.272482 (E_RNA) where: Base-Base interactions energy: -1699.145 where: short stacking energy: -707.150 Base-Backbone interact. energy: 4.483 local terms energy: -711.611113 where: bonds (distance) C4'-P energy: -122.642 bonds (distance) P-C4' energy: -135.699 flat angles C4'-P-C4' energy: -154.832 flat angles P-C4'-P energy: -90.166 tors. eta vs tors. theta energy: -208.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2335.969824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.969824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.969824 (E_RNA) where: Base-Base interactions energy: -1665.087 where: short stacking energy: -703.921 Base-Backbone interact. energy: -2.634 local terms energy: -668.249493 where: bonds (distance) C4'-P energy: -113.042 bonds (distance) P-C4' energy: -101.153 flat angles C4'-P-C4' energy: -153.845 flat angles P-C4'-P energy: -83.661 tors. eta vs tors. theta energy: -216.548 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: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2227.058040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.058040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.058040 (E_RNA) where: Base-Base interactions energy: -1559.818 where: short stacking energy: -649.921 Base-Backbone interact. energy: -3.814 local terms energy: -663.425270 where: bonds (distance) C4'-P energy: -101.537 bonds (distance) P-C4' energy: -129.839 flat angles C4'-P-C4' energy: -153.763 flat angles P-C4'-P energy: -94.102 tors. eta vs tors. theta energy: -184.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2092.489869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.489869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.489869 (E_RNA) where: Base-Base interactions energy: -1458.691 where: short stacking energy: -622.870 Base-Backbone interact. energy: -4.152 local terms energy: -629.646171 where: bonds (distance) C4'-P energy: -105.420 bonds (distance) P-C4' energy: -107.576 flat angles C4'-P-C4' energy: -128.056 flat angles P-C4'-P energy: -99.852 tors. eta vs tors. theta energy: -188.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -2036.574466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.574466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.574466 (E_RNA) where: Base-Base interactions energy: -1408.099 where: short stacking energy: -594.933 Base-Backbone interact. energy: 4.061 local terms energy: -632.536305 where: bonds (distance) C4'-P energy: -110.212 bonds (distance) P-C4' energy: -126.589 flat angles C4'-P-C4' energy: -134.773 flat angles P-C4'-P energy: -90.048 tors. eta vs tors. theta energy: -170.914 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: 4 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1694.330150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.330150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.330150 (E_RNA) where: Base-Base interactions energy: -1143.051 where: short stacking energy: -490.140 Base-Backbone interact. energy: 0.739 local terms energy: -552.018171 where: bonds (distance) C4'-P energy: -113.211 bonds (distance) P-C4' energy: -111.870 flat angles C4'-P-C4' energy: -117.597 flat angles P-C4'-P energy: -90.105 tors. eta vs tors. theta energy: -119.234 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: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1538.455362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.455362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.455362 (E_RNA) where: Base-Base interactions energy: -1000.308 where: short stacking energy: -460.221 Base-Backbone interact. energy: -2.667 local terms energy: -535.480051 where: bonds (distance) C4'-P energy: -104.442 bonds (distance) P-C4' energy: -108.501 flat angles C4'-P-C4' energy: -129.016 flat angles P-C4'-P energy: -80.597 tors. eta vs tors. theta energy: -112.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1378.399292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.399292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.399292 (E_RNA) where: Base-Base interactions energy: -891.246 where: short stacking energy: -386.096 Base-Backbone interact. energy: -0.709 local terms energy: -486.444514 where: bonds (distance) C4'-P energy: -108.438 bonds (distance) P-C4' energy: -107.510 flat angles C4'-P-C4' energy: -116.584 flat angles P-C4'-P energy: -83.570 tors. eta vs tors. theta energy: -70.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -1052.953110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.953110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.953110 (E_RNA) where: Base-Base interactions energy: -613.005 where: short stacking energy: -291.456 Base-Backbone interact. energy: -2.823 local terms energy: -437.125822 where: bonds (distance) C4'-P energy: -123.439 bonds (distance) P-C4' energy: -101.411 flat angles C4'-P-C4' energy: -91.807 flat angles P-C4'-P energy: -73.619 tors. eta vs tors. theta energy: -46.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2389.998647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.998647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.998647 (E_RNA) where: Base-Base interactions energy: -1680.252 where: short stacking energy: -715.107 Base-Backbone interact. energy: -2.059 local terms energy: -707.688214 where: bonds (distance) C4'-P energy: -133.922 bonds (distance) P-C4' energy: -114.975 flat angles C4'-P-C4' energy: -143.448 flat angles P-C4'-P energy: -107.882 tors. eta vs tors. theta energy: -207.461 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: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2361.099394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.099394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.099394 (E_RNA) where: Base-Base interactions energy: -1632.909 where: short stacking energy: -692.876 Base-Backbone interact. energy: -2.576 local terms energy: -725.614553 where: bonds (distance) C4'-P energy: -143.077 bonds (distance) P-C4' energy: -117.722 flat angles C4'-P-C4' energy: -155.056 flat angles P-C4'-P energy: -100.471 tors. eta vs tors. theta energy: -209.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2301.645171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.645171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.645171 (E_RNA) where: Base-Base interactions energy: -1597.087 where: short stacking energy: -677.728 Base-Backbone interact. energy: -2.877 local terms energy: -701.680951 where: bonds (distance) C4'-P energy: -120.270 bonds (distance) P-C4' energy: -127.159 flat angles C4'-P-C4' energy: -149.904 flat angles P-C4'-P energy: -97.214 tors. eta vs tors. theta energy: -207.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2235.433206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.433206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.433206 (E_RNA) where: Base-Base interactions energy: -1560.100 where: short stacking energy: -647.777 Base-Backbone interact. energy: -1.512 local terms energy: -673.821195 where: bonds (distance) C4'-P energy: -121.959 bonds (distance) P-C4' energy: -124.713 flat angles C4'-P-C4' energy: -145.851 flat angles P-C4'-P energy: -91.569 tors. eta vs tors. theta energy: -189.729 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: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2101.309429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.309429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.309429 (E_RNA) where: Base-Base interactions energy: -1434.771 where: short stacking energy: -624.406 Base-Backbone interact. energy: -3.219 local terms energy: -663.319312 where: bonds (distance) C4'-P energy: -127.924 bonds (distance) P-C4' energy: -125.355 flat angles C4'-P-C4' energy: -137.897 flat angles P-C4'-P energy: -96.247 tors. eta vs tors. theta energy: -175.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -2053.178571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.178571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.178571 (E_RNA) where: Base-Base interactions energy: -1426.314 where: short stacking energy: -617.187 Base-Backbone interact. energy: -1.498 local terms energy: -625.366122 where: bonds (distance) C4'-P energy: -99.832 bonds (distance) P-C4' energy: -131.140 flat angles C4'-P-C4' energy: -133.329 flat angles P-C4'-P energy: -85.411 tors. eta vs tors. theta energy: -175.654 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: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1721.307078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.307078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.307078 (E_RNA) where: Base-Base interactions energy: -1169.054 where: short stacking energy: -528.003 Base-Backbone interact. energy: -0.738 local terms energy: -551.514917 where: bonds (distance) C4'-P energy: -105.093 bonds (distance) P-C4' energy: -110.158 flat angles C4'-P-C4' energy: -113.051 flat angles P-C4'-P energy: -87.878 tors. eta vs tors. theta energy: -135.334 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: 10 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1619.300433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.300433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.300433 (E_RNA) where: Base-Base interactions energy: -1095.756 where: short stacking energy: -471.405 Base-Backbone interact. energy: -0.487 local terms energy: -523.057167 where: bonds (distance) C4'-P energy: -98.364 bonds (distance) P-C4' energy: -127.382 flat angles C4'-P-C4' energy: -107.041 flat angles P-C4'-P energy: -76.864 tors. eta vs tors. theta energy: -113.407 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: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1418.719496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.719496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.719496 (E_RNA) where: Base-Base interactions energy: -916.918 where: short stacking energy: -382.538 Base-Backbone interact. energy: 3.653 local terms energy: -505.453657 where: bonds (distance) C4'-P energy: -106.810 bonds (distance) P-C4' energy: -102.658 flat angles C4'-P-C4' energy: -132.008 flat angles P-C4'-P energy: -78.504 tors. eta vs tors. theta energy: -85.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1137.533799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.533799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.533799 (E_RNA) where: Base-Base interactions energy: -703.145 where: short stacking energy: -334.535 Base-Backbone interact. energy: -1.284 local terms energy: -433.105413 where: bonds (distance) C4'-P energy: -93.557 bonds (distance) P-C4' energy: -103.595 flat angles C4'-P-C4' energy: -114.824 flat angles P-C4'-P energy: -58.350 tors. eta vs tors. theta energy: -62.780 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: 2 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2400.142511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.142511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.142511 (E_RNA) where: Base-Base interactions energy: -1664.147 where: short stacking energy: -697.719 Base-Backbone interact. energy: 0.828 local terms energy: -736.824026 where: bonds (distance) C4'-P energy: -138.053 bonds (distance) P-C4' energy: -126.675 flat angles C4'-P-C4' energy: -155.753 flat angles P-C4'-P energy: -106.056 tors. eta vs tors. theta energy: -210.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2387.614733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.614733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.614733 (E_RNA) where: Base-Base interactions energy: -1661.557 where: short stacking energy: -711.041 Base-Backbone interact. energy: -2.540 local terms energy: -723.518390 where: bonds (distance) C4'-P energy: -133.047 bonds (distance) P-C4' energy: -128.251 flat angles C4'-P-C4' energy: -145.415 flat angles P-C4'-P energy: -103.879 tors. eta vs tors. theta energy: -212.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2347.253121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.253121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.253121 (E_RNA) where: Base-Base interactions energy: -1646.926 where: short stacking energy: -679.564 Base-Backbone interact. energy: -1.761 local terms energy: -698.566328 where: bonds (distance) C4'-P energy: -118.828 bonds (distance) P-C4' energy: -136.755 flat angles C4'-P-C4' energy: -151.446 flat angles P-C4'-P energy: -82.531 tors. eta vs tors. theta energy: -209.007 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: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2218.977759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.977759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.977759 (E_RNA) where: Base-Base interactions energy: -1553.021 where: short stacking energy: -672.781 Base-Backbone interact. energy: 9.894 local terms energy: -675.850388 where: bonds (distance) C4'-P energy: -124.208 bonds (distance) P-C4' energy: -133.756 flat angles C4'-P-C4' energy: -134.903 flat angles P-C4'-P energy: -79.023 tors. eta vs tors. theta energy: -203.960 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: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2096.253431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.253431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.253431 (E_RNA) where: Base-Base interactions energy: -1458.092 where: short stacking energy: -611.741 Base-Backbone interact. energy: -2.589 local terms energy: -635.571957 where: bonds (distance) C4'-P energy: -119.458 bonds (distance) P-C4' energy: -121.872 flat angles C4'-P-C4' energy: -128.111 flat angles P-C4'-P energy: -87.028 tors. eta vs tors. theta energy: -179.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -2028.645630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.645630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.645630 (E_RNA) where: Base-Base interactions energy: -1395.917 where: short stacking energy: -607.189 Base-Backbone interact. energy: 0.624 local terms energy: -633.352936 where: bonds (distance) C4'-P energy: -120.752 bonds (distance) P-C4' energy: -123.782 flat angles C4'-P-C4' energy: -138.753 flat angles P-C4'-P energy: -89.219 tors. eta vs tors. theta energy: -160.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1682.212933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.212933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.212933 (E_RNA) where: Base-Base interactions energy: -1112.096 where: short stacking energy: -494.814 Base-Backbone interact. energy: -1.519 local terms energy: -568.598204 where: bonds (distance) C4'-P energy: -119.505 bonds (distance) P-C4' energy: -114.729 flat angles C4'-P-C4' energy: -117.997 flat angles P-C4'-P energy: -74.903 tors. eta vs tors. theta energy: -141.464 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: 8, replica: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1573.898584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.898584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.898584 (E_RNA) where: Base-Base interactions energy: -1056.739 where: short stacking energy: -454.461 Base-Backbone interact. energy: 0.517 local terms energy: -517.676215 where: bonds (distance) C4'-P energy: -113.069 bonds (distance) P-C4' energy: -99.373 flat angles C4'-P-C4' energy: -124.578 flat angles P-C4'-P energy: -87.775 tors. eta vs tors. theta energy: -92.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1444.073927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.073927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.073927 (E_RNA) where: Base-Base interactions energy: -944.487 where: short stacking energy: -419.033 Base-Backbone interact. energy: 0.745 local terms energy: -500.331746 where: bonds (distance) C4'-P energy: -120.786 bonds (distance) P-C4' energy: -116.057 flat angles C4'-P-C4' energy: -120.644 flat angles P-C4'-P energy: -54.136 tors. eta vs tors. theta energy: -88.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -1139.878555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.878555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.878555 (E_RNA) where: Base-Base interactions energy: -718.219 where: short stacking energy: -309.334 Base-Backbone interact. energy: -1.875 local terms energy: -419.784868 where: bonds (distance) C4'-P energy: -113.250 bonds (distance) P-C4' energy: -96.037 flat angles C4'-P-C4' energy: -85.288 flat angles P-C4'-P energy: -81.874 tors. eta vs tors. theta energy: -43.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2430.111921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.111921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.111921 (E_RNA) where: Base-Base interactions energy: -1725.522 where: short stacking energy: -752.172 Base-Backbone interact. energy: -1.437 local terms energy: -703.152371 where: bonds (distance) C4'-P energy: -116.625 bonds (distance) P-C4' energy: -121.723 flat angles C4'-P-C4' energy: -151.955 flat angles P-C4'-P energy: -98.387 tors. eta vs tors. theta energy: -214.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2388.119404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.119404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.119404 (E_RNA) where: Base-Base interactions energy: -1653.635 where: short stacking energy: -711.547 Base-Backbone interact. energy: 3.461 local terms energy: -737.945837 where: bonds (distance) C4'-P energy: -137.951 bonds (distance) P-C4' energy: -136.060 flat angles C4'-P-C4' energy: -142.365 flat angles P-C4'-P energy: -106.806 tors. eta vs tors. theta energy: -214.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2332.456930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.456930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.456930 (E_RNA) where: Base-Base interactions energy: -1641.598 where: short stacking energy: -692.416 Base-Backbone interact. energy: -1.989 local terms energy: -688.870003 where: bonds (distance) C4'-P energy: -108.679 bonds (distance) P-C4' energy: -131.374 flat angles C4'-P-C4' energy: -149.645 flat angles P-C4'-P energy: -90.027 tors. eta vs tors. theta energy: -209.145 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: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2226.673293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.673293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.673293 (E_RNA) where: Base-Base interactions energy: -1579.779 where: short stacking energy: -649.272 Base-Backbone interact. energy: 2.068 local terms energy: -648.962396 where: bonds (distance) C4'-P energy: -107.605 bonds (distance) P-C4' energy: -120.843 flat angles C4'-P-C4' energy: -136.638 flat angles P-C4'-P energy: -83.709 tors. eta vs tors. theta energy: -200.167 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: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2117.103812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.103812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.103812 (E_RNA) where: Base-Base interactions energy: -1464.777 where: short stacking energy: -610.367 Base-Backbone interact. energy: 2.134 local terms energy: -654.460579 where: bonds (distance) C4'-P energy: -105.281 bonds (distance) P-C4' energy: -120.062 flat angles C4'-P-C4' energy: -145.705 flat angles P-C4'-P energy: -98.212 tors. eta vs tors. theta energy: -185.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -2020.245368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.245368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.245368 (E_RNA) where: Base-Base interactions energy: -1382.246 where: short stacking energy: -592.041 Base-Backbone interact. energy: -1.613 local terms energy: -636.386584 where: bonds (distance) C4'-P energy: -119.862 bonds (distance) P-C4' energy: -119.816 flat angles C4'-P-C4' energy: -133.322 flat angles P-C4'-P energy: -91.104 tors. eta vs tors. theta energy: -172.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1702.714470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.714470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.714470 (E_RNA) where: Base-Base interactions energy: -1128.511 where: short stacking energy: -525.351 Base-Backbone interact. energy: -2.016 local terms energy: -572.187615 where: bonds (distance) C4'-P energy: -109.349 bonds (distance) P-C4' energy: -128.222 flat angles C4'-P-C4' energy: -123.138 flat angles P-C4'-P energy: -84.676 tors. eta vs tors. theta energy: -126.803 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: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1528.690159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.690159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.690159 (E_RNA) where: Base-Base interactions energy: -1020.109 where: short stacking energy: -440.544 Base-Backbone interact. energy: 3.391 local terms energy: -511.972202 where: bonds (distance) C4'-P energy: -103.981 bonds (distance) P-C4' energy: -115.126 flat angles C4'-P-C4' energy: -122.944 flat angles P-C4'-P energy: -85.473 tors. eta vs tors. theta energy: -84.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1481.647165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.647165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.647165 (E_RNA) where: Base-Base interactions energy: -966.196 where: short stacking energy: -401.110 Base-Backbone interact. energy: 0.942 local terms energy: -516.393495 where: bonds (distance) C4'-P energy: -113.267 bonds (distance) P-C4' energy: -108.863 flat angles C4'-P-C4' energy: -118.825 flat angles P-C4'-P energy: -71.078 tors. eta vs tors. theta energy: -104.360 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: 49 Temperature: 1.350000 Total energy: -1115.827443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.827443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.827443 (E_RNA) where: Base-Base interactions energy: -693.418 where: short stacking energy: -299.177 Base-Backbone interact. energy: 0.312 local terms energy: -422.722116 where: bonds (distance) C4'-P energy: -85.347 bonds (distance) P-C4' energy: -106.448 flat angles C4'-P-C4' energy: -122.358 flat angles P-C4'-P energy: -69.146 tors. eta vs tors. theta energy: -39.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2406.926566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.926566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.926566 (E_RNA) where: Base-Base interactions energy: -1690.643 where: short stacking energy: -707.809 Base-Backbone interact. energy: -2.330 local terms energy: -713.954274 where: bonds (distance) C4'-P energy: -124.950 bonds (distance) P-C4' energy: -132.912 flat angles C4'-P-C4' energy: -142.579 flat angles P-C4'-P energy: -102.451 tors. eta vs tors. theta energy: -211.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2330.622778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.622778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.622778 (E_RNA) where: Base-Base interactions energy: -1613.197 where: short stacking energy: -697.127 Base-Backbone interact. energy: -0.802 local terms energy: -716.624008 where: bonds (distance) C4'-P energy: -109.083 bonds (distance) P-C4' energy: -139.241 flat angles C4'-P-C4' energy: -154.881 flat angles P-C4'-P energy: -104.985 tors. eta vs tors. theta energy: -208.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2314.063000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.063000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.063000 (E_RNA) where: Base-Base interactions energy: -1612.368 where: short stacking energy: -680.025 Base-Backbone interact. energy: -3.339 local terms energy: -698.355135 where: bonds (distance) C4'-P energy: -122.846 bonds (distance) P-C4' energy: -129.728 flat angles C4'-P-C4' energy: -136.263 flat angles P-C4'-P energy: -104.057 tors. eta vs tors. theta energy: -205.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2221.869175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.869175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.869175 (E_RNA) where: Base-Base interactions energy: -1542.987 where: short stacking energy: -659.093 Base-Backbone interact. energy: 1.275 local terms energy: -680.157125 where: bonds (distance) C4'-P energy: -118.244 bonds (distance) P-C4' energy: -122.548 flat angles C4'-P-C4' energy: -141.913 flat angles P-C4'-P energy: -99.871 tors. eta vs tors. theta energy: -197.582 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: 6 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2067.894313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.894313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.894313 (E_RNA) where: Base-Base interactions energy: -1418.340 where: short stacking energy: -639.571 Base-Backbone interact. energy: -1.374 local terms energy: -648.181027 where: bonds (distance) C4'-P energy: -119.826 bonds (distance) P-C4' energy: -101.350 flat angles C4'-P-C4' energy: -141.613 flat angles P-C4'-P energy: -95.549 tors. eta vs tors. theta energy: -189.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -2045.666087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.666087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.666087 (E_RNA) where: Base-Base interactions energy: -1449.079 where: short stacking energy: -601.218 Base-Backbone interact. energy: -2.043 local terms energy: -594.543593 where: bonds (distance) C4'-P energy: -105.464 bonds (distance) P-C4' energy: -113.733 flat angles C4'-P-C4' energy: -119.290 flat angles P-C4'-P energy: -82.694 tors. eta vs tors. theta energy: -173.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1740.045020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.045020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.045020 (E_RNA) where: Base-Base interactions energy: -1174.758 where: short stacking energy: -493.205 Base-Backbone interact. energy: -2.774 local terms energy: -562.513103 where: bonds (distance) C4'-P energy: -122.024 bonds (distance) P-C4' energy: -110.157 flat angles C4'-P-C4' energy: -124.951 flat angles P-C4'-P energy: -69.515 tors. eta vs tors. theta energy: -135.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1530.758456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.758456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.758456 (E_RNA) where: Base-Base interactions energy: -1019.078 where: short stacking energy: -457.886 Base-Backbone interact. energy: 1.300 local terms energy: -512.980586 where: bonds (distance) C4'-P energy: -80.446 bonds (distance) P-C4' energy: -126.800 flat angles C4'-P-C4' energy: -133.635 flat angles P-C4'-P energy: -73.946 tors. eta vs tors. theta energy: -98.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1402.427118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.427118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.427118 (E_RNA) where: Base-Base interactions energy: -943.649 where: short stacking energy: -406.619 Base-Backbone interact. energy: -2.434 local terms energy: -456.343848 where: bonds (distance) C4'-P energy: -91.023 bonds (distance) P-C4' energy: -104.370 flat angles C4'-P-C4' energy: -106.232 flat angles P-C4'-P energy: -76.885 tors. eta vs tors. theta energy: -77.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -1170.703493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.703493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.703493 (E_RNA) where: Base-Base interactions energy: -705.703 where: short stacking energy: -318.045 Base-Backbone interact. energy: -4.265 local terms energy: -460.735898 where: bonds (distance) C4'-P energy: -104.417 bonds (distance) P-C4' energy: -132.476 flat angles C4'-P-C4' energy: -113.671 flat angles P-C4'-P energy: -57.553 tors. eta vs tors. theta energy: -52.620 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: 51 Temperature: 0.900000 Total energy: -2424.144601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.144601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.144601 (E_RNA) where: Base-Base interactions energy: -1670.578 where: short stacking energy: -690.984 Base-Backbone interact. energy: -3.111 local terms energy: -750.455201 where: bonds (distance) C4'-P energy: -138.755 bonds (distance) P-C4' energy: -146.622 flat angles C4'-P-C4' energy: -147.423 flat angles P-C4'-P energy: -107.553 tors. eta vs tors. theta energy: -210.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2359.480540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.480540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.480540 (E_RNA) where: Base-Base interactions energy: -1638.386 where: short stacking energy: -712.354 Base-Backbone interact. energy: -1.336 local terms energy: -719.757815 where: bonds (distance) C4'-P energy: -124.552 bonds (distance) P-C4' energy: -144.151 flat angles C4'-P-C4' energy: -144.938 flat angles P-C4'-P energy: -90.425 tors. eta vs tors. theta energy: -215.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2310.836634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.836634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.836634 (E_RNA) where: Base-Base interactions energy: -1595.597 where: short stacking energy: -685.949 Base-Backbone interact. energy: 1.196 local terms energy: -716.436197 where: bonds (distance) C4'-P energy: -123.431 bonds (distance) P-C4' energy: -131.367 flat angles C4'-P-C4' energy: -153.429 flat angles P-C4'-P energy: -100.215 tors. eta vs tors. theta energy: -207.995 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: 51 Temperature: 1.050000 Total energy: -2232.199797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.199797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.199797 (E_RNA) where: Base-Base interactions energy: -1518.265 where: short stacking energy: -649.383 Base-Backbone interact. energy: -2.656 local terms energy: -711.278472 where: bonds (distance) C4'-P energy: -125.202 bonds (distance) P-C4' energy: -133.422 flat angles C4'-P-C4' energy: -151.990 flat angles P-C4'-P energy: -94.608 tors. eta vs tors. theta energy: -206.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2132.796580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.796580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.796580 (E_RNA) where: Base-Base interactions energy: -1479.486 where: short stacking energy: -620.789 Base-Backbone interact. energy: -2.404 local terms energy: -650.906526 where: bonds (distance) C4'-P energy: -128.656 bonds (distance) P-C4' energy: -113.654 flat angles C4'-P-C4' energy: -144.319 flat angles P-C4'-P energy: -74.776 tors. eta vs tors. theta energy: -189.501 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: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -2002.825930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.825930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.825930 (E_RNA) where: Base-Base interactions energy: -1392.231 where: short stacking energy: -569.081 Base-Backbone interact. energy: 5.853 local terms energy: -616.447370 where: bonds (distance) C4'-P energy: -97.784 bonds (distance) P-C4' energy: -123.498 flat angles C4'-P-C4' energy: -148.953 flat angles P-C4'-P energy: -85.506 tors. eta vs tors. theta energy: -160.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1679.096878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.096878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.096878 (E_RNA) where: Base-Base interactions energy: -1126.447 where: short stacking energy: -477.748 Base-Backbone interact. energy: -1.709 local terms energy: -550.940994 where: bonds (distance) C4'-P energy: -110.492 bonds (distance) P-C4' energy: -108.066 flat angles C4'-P-C4' energy: -130.837 flat angles P-C4'-P energy: -88.415 tors. eta vs tors. theta energy: -113.131 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: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1534.973017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.973017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.973017 (E_RNA) where: Base-Base interactions energy: -1022.925 where: short stacking energy: -467.952 Base-Backbone interact. energy: -2.275 local terms energy: -509.772914 where: bonds (distance) C4'-P energy: -98.004 bonds (distance) P-C4' energy: -124.352 flat angles C4'-P-C4' energy: -109.196 flat angles P-C4'-P energy: -77.379 tors. eta vs tors. theta energy: -100.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1447.345522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.345522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.345522 (E_RNA) where: Base-Base interactions energy: -958.063 where: short stacking energy: -418.914 Base-Backbone interact. energy: -1.210 local terms energy: -488.072178 where: bonds (distance) C4'-P energy: -95.872 bonds (distance) P-C4' energy: -109.550 flat angles C4'-P-C4' energy: -114.486 flat angles P-C4'-P energy: -78.182 tors. eta vs tors. theta energy: -89.982 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: 51 Temperature: 1.350000 Total energy: -1162.064630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.064630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.064630 (E_RNA) where: Base-Base interactions energy: -732.377 where: short stacking energy: -318.615 Base-Backbone interact. energy: 1.031 local terms energy: -430.718812 where: bonds (distance) C4'-P energy: -81.183 bonds (distance) P-C4' energy: -115.183 flat angles C4'-P-C4' energy: -103.583 flat angles P-C4'-P energy: -73.103 tors. eta vs tors. theta energy: -57.667 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: 2 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2445.361394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.361394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.361394 (E_RNA) where: Base-Base interactions energy: -1710.795 where: short stacking energy: -716.044 Base-Backbone interact. energy: -2.439 local terms energy: -732.128147 where: bonds (distance) C4'-P energy: -130.982 bonds (distance) P-C4' energy: -130.139 flat angles C4'-P-C4' energy: -157.816 flat angles P-C4'-P energy: -104.881 tors. eta vs tors. theta energy: -208.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2374.799870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.799870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.799870 (E_RNA) where: Base-Base interactions energy: -1665.173 where: short stacking energy: -714.861 Base-Backbone interact. energy: -0.541 local terms energy: -709.085971 where: bonds (distance) C4'-P energy: -118.409 bonds (distance) P-C4' energy: -137.026 flat angles C4'-P-C4' energy: -142.656 flat angles P-C4'-P energy: -94.199 tors. eta vs tors. theta energy: -216.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2251.854906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.854906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.854906 (E_RNA) where: Base-Base interactions energy: -1549.220 where: short stacking energy: -640.543 Base-Backbone interact. energy: -6.342 local terms energy: -696.293493 where: bonds (distance) C4'-P energy: -118.943 bonds (distance) P-C4' energy: -142.727 flat angles C4'-P-C4' energy: -139.889 flat angles P-C4'-P energy: -109.354 tors. eta vs tors. theta energy: -185.380 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: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2207.326651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.326651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.326651 (E_RNA) where: Base-Base interactions energy: -1522.292 where: short stacking energy: -648.416 Base-Backbone interact. energy: 0.123 local terms energy: -685.157591 where: bonds (distance) C4'-P energy: -138.932 bonds (distance) P-C4' energy: -124.597 flat angles C4'-P-C4' energy: -137.501 flat angles P-C4'-P energy: -81.946 tors. eta vs tors. theta energy: -202.181 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: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2095.103040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.103040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.103040 (E_RNA) where: Base-Base interactions energy: -1429.948 where: short stacking energy: -629.723 Base-Backbone interact. energy: 1.028 local terms energy: -666.182669 where: bonds (distance) C4'-P energy: -103.309 bonds (distance) P-C4' energy: -115.112 flat angles C4'-P-C4' energy: -152.332 flat angles P-C4'-P energy: -102.839 tors. eta vs tors. theta energy: -192.591 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: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -2055.571816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.571816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.571816 (E_RNA) where: Base-Base interactions energy: -1441.546 where: short stacking energy: -575.191 Base-Backbone interact. energy: 4.232 local terms energy: -618.258150 where: bonds (distance) C4'-P energy: -112.390 bonds (distance) P-C4' energy: -125.245 flat angles C4'-P-C4' energy: -138.366 flat angles P-C4'-P energy: -71.388 tors. eta vs tors. theta energy: -170.869 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: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1640.217882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.217882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.217882 (E_RNA) where: Base-Base interactions energy: -1114.230 where: short stacking energy: -490.090 Base-Backbone interact. energy: 1.175 local terms energy: -527.162828 where: bonds (distance) C4'-P energy: -79.915 bonds (distance) P-C4' energy: -130.330 flat angles C4'-P-C4' energy: -119.448 flat angles P-C4'-P energy: -76.788 tors. eta vs tors. theta energy: -120.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1548.146509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.146509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.146509 (E_RNA) where: Base-Base interactions energy: -1029.479 where: short stacking energy: -434.643 Base-Backbone interact. energy: 5.767 local terms energy: -524.434639 where: bonds (distance) C4'-P energy: -117.592 bonds (distance) P-C4' energy: -118.532 flat angles C4'-P-C4' energy: -101.799 flat angles P-C4'-P energy: -90.923 tors. eta vs tors. theta energy: -95.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1409.931748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.931748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.931748 (E_RNA) where: Base-Base interactions energy: -931.215 where: short stacking energy: -419.663 Base-Backbone interact. energy: -0.561 local terms energy: -478.155559 where: bonds (distance) C4'-P energy: -97.913 bonds (distance) P-C4' energy: -111.436 flat angles C4'-P-C4' energy: -107.938 flat angles P-C4'-P energy: -56.974 tors. eta vs tors. theta energy: -103.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -1188.738726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.738726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.738726 (E_RNA) where: Base-Base interactions energy: -756.235 where: short stacking energy: -308.880 Base-Backbone interact. energy: -2.758 local terms energy: -429.745569 where: bonds (distance) C4'-P energy: -100.406 bonds (distance) P-C4' energy: -104.234 flat angles C4'-P-C4' energy: -110.413 flat angles P-C4'-P energy: -62.944 tors. eta vs tors. theta energy: -51.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2437.867642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.867642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.867642 (E_RNA) where: Base-Base interactions energy: -1715.356 where: short stacking energy: -723.750 Base-Backbone interact. energy: -1.094 local terms energy: -721.417764 where: bonds (distance) C4'-P energy: -126.212 bonds (distance) P-C4' energy: -131.907 flat angles C4'-P-C4' energy: -163.604 flat angles P-C4'-P energy: -92.992 tors. eta vs tors. theta energy: -206.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2365.004131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.004131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.004131 (E_RNA) where: Base-Base interactions energy: -1637.230 where: short stacking energy: -717.930 Base-Backbone interact. energy: -3.585 local terms energy: -724.188931 where: bonds (distance) C4'-P energy: -122.558 bonds (distance) P-C4' energy: -128.146 flat angles C4'-P-C4' energy: -154.206 flat angles P-C4'-P energy: -103.653 tors. eta vs tors. theta energy: -215.626 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: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2261.370831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.370831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.370831 (E_RNA) where: Base-Base interactions energy: -1563.097 where: short stacking energy: -676.831 Base-Backbone interact. energy: -3.080 local terms energy: -695.193960 where: bonds (distance) C4'-P energy: -130.606 bonds (distance) P-C4' energy: -114.799 flat angles C4'-P-C4' energy: -150.609 flat angles P-C4'-P energy: -103.206 tors. eta vs tors. theta energy: -195.974 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: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2175.341068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.341068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.341068 (E_RNA) where: Base-Base interactions energy: -1485.701 where: short stacking energy: -655.858 Base-Backbone interact. energy: -0.520 local terms energy: -689.120479 where: bonds (distance) C4'-P energy: -116.252 bonds (distance) P-C4' energy: -125.199 flat angles C4'-P-C4' energy: -145.051 flat angles P-C4'-P energy: -110.963 tors. eta vs tors. theta energy: -191.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2043.094796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.094796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.094796 (E_RNA) where: Base-Base interactions energy: -1408.959 where: short stacking energy: -587.746 Base-Backbone interact. energy: 4.182 local terms energy: -638.317925 where: bonds (distance) C4'-P energy: -113.675 bonds (distance) P-C4' energy: -127.957 flat angles C4'-P-C4' energy: -136.789 flat angles P-C4'-P energy: -77.579 tors. eta vs tors. theta energy: -182.318 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: 3 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -2131.129002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.129002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.129002 (E_RNA) where: Base-Base interactions energy: -1502.835 where: short stacking energy: -621.370 Base-Backbone interact. energy: 0.447 local terms energy: -628.740231 where: bonds (distance) C4'-P energy: -96.894 bonds (distance) P-C4' energy: -116.729 flat angles C4'-P-C4' energy: -140.794 flat angles P-C4'-P energy: -90.535 tors. eta vs tors. theta energy: -183.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1692.225661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.225661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.225661 (E_RNA) where: Base-Base interactions energy: -1140.681 where: short stacking energy: -508.816 Base-Backbone interact. energy: -1.857 local terms energy: -549.687994 where: bonds (distance) C4'-P energy: -106.835 bonds (distance) P-C4' energy: -109.642 flat angles C4'-P-C4' energy: -134.446 flat angles P-C4'-P energy: -67.455 tors. eta vs tors. theta energy: -131.310 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: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1550.360421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.360421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.360421 (E_RNA) where: Base-Base interactions energy: -1055.309 where: short stacking energy: -451.640 Base-Backbone interact. energy: -1.932 local terms energy: -493.119582 where: bonds (distance) C4'-P energy: -103.864 bonds (distance) P-C4' energy: -100.936 flat angles C4'-P-C4' energy: -91.135 flat angles P-C4'-P energy: -88.939 tors. eta vs tors. theta energy: -108.245 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: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1341.690066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.690066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.690066 (E_RNA) where: Base-Base interactions energy: -884.496 where: short stacking energy: -363.103 Base-Backbone interact. energy: -2.484 local terms energy: -454.710089 where: bonds (distance) C4'-P energy: -110.214 bonds (distance) P-C4' energy: -108.874 flat angles C4'-P-C4' energy: -95.211 flat angles P-C4'-P energy: -75.883 tors. eta vs tors. theta energy: -64.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -1235.131178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.131178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.131178 (E_RNA) where: Base-Base interactions energy: -767.913 where: short stacking energy: -340.338 Base-Backbone interact. energy: -2.817 local terms energy: -464.401762 where: bonds (distance) C4'-P energy: -98.461 bonds (distance) P-C4' energy: -96.125 flat angles C4'-P-C4' energy: -109.779 flat angles P-C4'-P energy: -76.675 tors. eta vs tors. theta energy: -83.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2420.511785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.511785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.511785 (E_RNA) where: Base-Base interactions energy: -1694.747 where: short stacking energy: -695.683 Base-Backbone interact. energy: -1.935 local terms energy: -723.830037 where: bonds (distance) C4'-P energy: -131.522 bonds (distance) P-C4' energy: -137.638 flat angles C4'-P-C4' energy: -156.745 flat angles P-C4'-P energy: -103.207 tors. eta vs tors. theta energy: -194.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2337.697975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.697975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.697975 (E_RNA) where: Base-Base interactions energy: -1625.742 where: short stacking energy: -671.355 Base-Backbone interact. energy: -4.384 local terms energy: -707.571493 where: bonds (distance) C4'-P energy: -124.892 bonds (distance) P-C4' energy: -126.295 flat angles C4'-P-C4' energy: -151.098 flat angles P-C4'-P energy: -103.008 tors. eta vs tors. theta energy: -202.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2288.169090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.169090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.169090 (E_RNA) where: Base-Base interactions energy: -1600.426 where: short stacking energy: -688.594 Base-Backbone interact. energy: 1.878 local terms energy: -689.621397 where: bonds (distance) C4'-P energy: -122.647 bonds (distance) P-C4' energy: -126.331 flat angles C4'-P-C4' energy: -146.066 flat angles P-C4'-P energy: -93.144 tors. eta vs tors. theta energy: -201.433 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: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2178.217550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.217550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.217550 (E_RNA) where: Base-Base interactions energy: -1477.608 where: short stacking energy: -653.846 Base-Backbone interact. energy: -0.970 local terms energy: -699.639106 where: bonds (distance) C4'-P energy: -121.474 bonds (distance) P-C4' energy: -130.094 flat angles C4'-P-C4' energy: -142.181 flat angles P-C4'-P energy: -109.126 tors. eta vs tors. theta energy: -196.764 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: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2179.960435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.960435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.960435 (E_RNA) where: Base-Base interactions energy: -1526.216 where: short stacking energy: -640.905 Base-Backbone interact. energy: -1.668 local terms energy: -652.077201 where: bonds (distance) C4'-P energy: -120.147 bonds (distance) P-C4' energy: -117.978 flat angles C4'-P-C4' energy: -131.221 flat angles P-C4'-P energy: -97.043 tors. eta vs tors. theta energy: -185.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1972.080939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.080939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.080939 (E_RNA) where: Base-Base interactions energy: -1380.164 where: short stacking energy: -604.178 Base-Backbone interact. energy: -0.898 local terms energy: -591.019015 where: bonds (distance) C4'-P energy: -107.947 bonds (distance) P-C4' energy: -111.934 flat angles C4'-P-C4' energy: -135.052 flat angles P-C4'-P energy: -72.440 tors. eta vs tors. theta energy: -163.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1717.392508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.392508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.392508 (E_RNA) where: Base-Base interactions energy: -1154.999 where: short stacking energy: -512.217 Base-Backbone interact. energy: -2.915 local terms energy: -559.479301 where: bonds (distance) C4'-P energy: -98.834 bonds (distance) P-C4' energy: -120.617 flat angles C4'-P-C4' energy: -137.158 flat angles P-C4'-P energy: -71.356 tors. eta vs tors. theta energy: -131.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1497.467180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.467180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.467180 (E_RNA) where: Base-Base interactions energy: -949.052 where: short stacking energy: -424.131 Base-Backbone interact. energy: -2.262 local terms energy: -546.153017 where: bonds (distance) C4'-P energy: -110.341 bonds (distance) P-C4' energy: -116.020 flat angles C4'-P-C4' energy: -133.988 flat angles P-C4'-P energy: -80.927 tors. eta vs tors. theta energy: -104.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1423.979277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.979277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.979277 (E_RNA) where: Base-Base interactions energy: -940.333 where: short stacking energy: -402.660 Base-Backbone interact. energy: -0.185 local terms energy: -483.461218 where: bonds (distance) C4'-P energy: -98.978 bonds (distance) P-C4' energy: -97.825 flat angles C4'-P-C4' energy: -130.908 flat angles P-C4'-P energy: -78.007 tors. eta vs tors. theta energy: -77.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -1193.139537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.139537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.139537 (E_RNA) where: Base-Base interactions energy: -750.370 where: short stacking energy: -335.697 Base-Backbone interact. energy: 1.187 local terms energy: -443.957450 where: bonds (distance) C4'-P energy: -84.903 bonds (distance) P-C4' energy: -119.027 flat angles C4'-P-C4' energy: -119.621 flat angles P-C4'-P energy: -73.176 tors. eta vs tors. theta energy: -47.230 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: 55 Temperature: 0.900000 Total energy: -2419.988074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.988074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.988074 (E_RNA) where: Base-Base interactions energy: -1691.077 where: short stacking energy: -714.070 Base-Backbone interact. energy: -0.373 local terms energy: -728.538316 where: bonds (distance) C4'-P energy: -140.569 bonds (distance) P-C4' energy: -142.338 flat angles C4'-P-C4' energy: -148.141 flat angles P-C4'-P energy: -96.839 tors. eta vs tors. theta energy: -200.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2327.879050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.879050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.879050 (E_RNA) where: Base-Base interactions energy: -1630.724 where: short stacking energy: -684.966 Base-Backbone interact. energy: -2.035 local terms energy: -695.120557 where: bonds (distance) C4'-P energy: -121.822 bonds (distance) P-C4' energy: -119.584 flat angles C4'-P-C4' energy: -152.032 flat angles P-C4'-P energy: -94.134 tors. eta vs tors. theta energy: -207.548 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: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2272.345827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.345827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.345827 (E_RNA) where: Base-Base interactions energy: -1564.283 where: short stacking energy: -694.619 Base-Backbone interact. energy: -1.909 local terms energy: -706.153560 where: bonds (distance) C4'-P energy: -112.031 bonds (distance) P-C4' energy: -134.952 flat angles C4'-P-C4' energy: -143.200 flat angles P-C4'-P energy: -109.795 tors. eta vs tors. theta energy: -206.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2278.578379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.578379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.578379 (E_RNA) where: Base-Base interactions energy: -1591.035 where: short stacking energy: -678.167 Base-Backbone interact. energy: -0.968 local terms energy: -686.574632 where: bonds (distance) C4'-P energy: -120.561 bonds (distance) P-C4' energy: -128.602 flat angles C4'-P-C4' energy: -151.909 flat angles P-C4'-P energy: -101.298 tors. eta vs tors. theta energy: -184.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2115.035160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.035160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.035160 (E_RNA) where: Base-Base interactions energy: -1445.570 where: short stacking energy: -628.726 Base-Backbone interact. energy: 3.163 local terms energy: -672.628537 where: bonds (distance) C4'-P energy: -108.623 bonds (distance) P-C4' energy: -132.152 flat angles C4'-P-C4' energy: -148.766 flat angles P-C4'-P energy: -83.905 tors. eta vs tors. theta energy: -199.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -2017.265968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.265968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.265968 (E_RNA) where: Base-Base interactions energy: -1368.698 where: short stacking energy: -605.287 Base-Backbone interact. energy: -1.397 local terms energy: -647.171456 where: bonds (distance) C4'-P energy: -119.837 bonds (distance) P-C4' energy: -128.307 flat angles C4'-P-C4' energy: -123.659 flat angles P-C4'-P energy: -94.056 tors. eta vs tors. theta energy: -181.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1740.480503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.480503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.480503 (E_RNA) where: Base-Base interactions energy: -1151.034 where: short stacking energy: -505.895 Base-Backbone interact. energy: 1.252 local terms energy: -590.698758 where: bonds (distance) C4'-P energy: -91.836 bonds (distance) P-C4' energy: -138.623 flat angles C4'-P-C4' energy: -129.667 flat angles P-C4'-P energy: -82.054 tors. eta vs tors. theta energy: -148.518 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: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1573.529845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.529845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.529845 (E_RNA) where: Base-Base interactions energy: -1030.965 where: short stacking energy: -456.481 Base-Backbone interact. energy: -1.640 local terms energy: -540.925042 where: bonds (distance) C4'-P energy: -101.688 bonds (distance) P-C4' energy: -110.072 flat angles C4'-P-C4' energy: -136.003 flat angles P-C4'-P energy: -89.943 tors. eta vs tors. theta energy: -103.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1459.219902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.219902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.219902 (E_RNA) where: Base-Base interactions energy: -987.709 where: short stacking energy: -437.384 Base-Backbone interact. energy: -3.120 local terms energy: -468.391106 where: bonds (distance) C4'-P energy: -108.692 bonds (distance) P-C4' energy: -99.312 flat angles C4'-P-C4' energy: -115.239 flat angles P-C4'-P energy: -49.702 tors. eta vs tors. theta energy: -95.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1184.669132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.669132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.669132 (E_RNA) where: Base-Base interactions energy: -763.062 where: short stacking energy: -346.497 Base-Backbone interact. energy: 3.965 local terms energy: -425.572947 where: bonds (distance) C4'-P energy: -105.428 bonds (distance) P-C4' energy: -103.904 flat angles C4'-P-C4' energy: -92.912 flat angles P-C4'-P energy: -63.055 tors. eta vs tors. theta energy: -60.274 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: 56 Temperature: 0.900000 Total energy: -2417.847044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.847044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.847044 (E_RNA) where: Base-Base interactions energy: -1702.531 where: short stacking energy: -733.443 Base-Backbone interact. energy: -2.087 local terms energy: -713.229090 where: bonds (distance) C4'-P energy: -131.092 bonds (distance) P-C4' energy: -136.091 flat angles C4'-P-C4' energy: -152.984 flat angles P-C4'-P energy: -85.344 tors. eta vs tors. theta energy: -207.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2373.995760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.995760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.995760 (E_RNA) where: Base-Base interactions energy: -1660.995 where: short stacking energy: -712.404 Base-Backbone interact. energy: -0.865 local terms energy: -712.135161 where: bonds (distance) C4'-P energy: -117.437 bonds (distance) P-C4' energy: -132.871 flat angles C4'-P-C4' energy: -149.667 flat angles P-C4'-P energy: -99.066 tors. eta vs tors. theta energy: -213.094 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: 7 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2250.190536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.190536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.190536 (E_RNA) where: Base-Base interactions energy: -1540.733 where: short stacking energy: -688.268 Base-Backbone interact. energy: -3.310 local terms energy: -706.146716 where: bonds (distance) C4'-P energy: -123.347 bonds (distance) P-C4' energy: -126.631 flat angles C4'-P-C4' energy: -153.049 flat angles P-C4'-P energy: -99.439 tors. eta vs tors. theta energy: -203.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2224.707763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.707763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.707763 (E_RNA) where: Base-Base interactions energy: -1542.287 where: short stacking energy: -666.522 Base-Backbone interact. energy: -1.065 local terms energy: -681.355749 where: bonds (distance) C4'-P energy: -115.195 bonds (distance) P-C4' energy: -132.832 flat angles C4'-P-C4' energy: -140.868 flat angles P-C4'-P energy: -103.038 tors. eta vs tors. theta energy: -189.424 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: 1 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2036.765608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.765608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.765608 (E_RNA) where: Base-Base interactions energy: -1372.879 where: short stacking energy: -586.608 Base-Backbone interact. energy: -1.448 local terms energy: -662.438734 where: bonds (distance) C4'-P energy: -110.795 bonds (distance) P-C4' energy: -123.519 flat angles C4'-P-C4' energy: -148.374 flat angles P-C4'-P energy: -108.402 tors. eta vs tors. theta energy: -171.350 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: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2016.504121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.504121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.504121 (E_RNA) where: Base-Base interactions energy: -1335.376 where: short stacking energy: -585.245 Base-Backbone interact. energy: -1.992 local terms energy: -679.136227 where: bonds (distance) C4'-P energy: -121.448 bonds (distance) P-C4' energy: -134.017 flat angles C4'-P-C4' energy: -151.099 flat angles P-C4'-P energy: -86.516 tors. eta vs tors. theta energy: -186.057 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: 4 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1756.669322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.669322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.669322 (E_RNA) where: Base-Base interactions energy: -1188.576 where: short stacking energy: -523.823 Base-Backbone interact. energy: 0.544 local terms energy: -568.636604 where: bonds (distance) C4'-P energy: -107.240 bonds (distance) P-C4' energy: -115.013 flat angles C4'-P-C4' energy: -124.395 flat angles P-C4'-P energy: -83.263 tors. eta vs tors. theta energy: -138.726 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: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1544.908341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.908341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.908341 (E_RNA) where: Base-Base interactions energy: -1018.414 where: short stacking energy: -451.813 Base-Backbone interact. energy: 2.432 local terms energy: -528.925739 where: bonds (distance) C4'-P energy: -107.186 bonds (distance) P-C4' energy: -122.038 flat angles C4'-P-C4' energy: -115.507 flat angles P-C4'-P energy: -72.094 tors. eta vs tors. theta energy: -112.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1560.714472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.714472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.714472 (E_RNA) where: Base-Base interactions energy: -1103.754 where: short stacking energy: -473.076 Base-Backbone interact. energy: -4.053 local terms energy: -452.907632 where: bonds (distance) C4'-P energy: -88.842 bonds (distance) P-C4' energy: -78.139 flat angles C4'-P-C4' energy: -97.074 flat angles P-C4'-P energy: -63.272 tors. eta vs tors. theta energy: -125.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -1154.052645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.052645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.052645 (E_RNA) where: Base-Base interactions energy: -721.494 where: short stacking energy: -331.397 Base-Backbone interact. energy: -3.662 local terms energy: -428.896722 where: bonds (distance) C4'-P energy: -103.701 bonds (distance) P-C4' energy: -111.116 flat angles C4'-P-C4' energy: -96.817 flat angles P-C4'-P energy: -70.403 tors. eta vs tors. theta energy: -46.859 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: 2 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2406.797649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.797649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.797649 (E_RNA) where: Base-Base interactions energy: -1675.741 where: short stacking energy: -700.644 Base-Backbone interact. energy: -2.477 local terms energy: -728.579181 where: bonds (distance) C4'-P energy: -123.784 bonds (distance) P-C4' energy: -136.668 flat angles C4'-P-C4' energy: -156.200 flat angles P-C4'-P energy: -106.380 tors. eta vs tors. theta energy: -205.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2353.976031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.976031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.976031 (E_RNA) where: Base-Base interactions energy: -1605.825 where: short stacking energy: -693.787 Base-Backbone interact. energy: -4.944 local terms energy: -743.206987 where: bonds (distance) C4'-P energy: -136.009 bonds (distance) P-C4' energy: -143.075 flat angles C4'-P-C4' energy: -150.125 flat angles P-C4'-P energy: -93.394 tors. eta vs tors. theta energy: -220.605 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: 3, replica: 7 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2295.119181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.119181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.119181 (E_RNA) where: Base-Base interactions energy: -1589.213 where: short stacking energy: -694.031 Base-Backbone interact. energy: 0.234 local terms energy: -706.140258 where: bonds (distance) C4'-P energy: -128.847 bonds (distance) P-C4' energy: -124.505 flat angles C4'-P-C4' energy: -153.050 flat angles P-C4'-P energy: -97.809 tors. eta vs tors. theta energy: -201.929 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: 3 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2226.477288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.477288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.477288 (E_RNA) where: Base-Base interactions energy: -1554.436 where: short stacking energy: -653.228 Base-Backbone interact. energy: -2.541 local terms energy: -669.500187 where: bonds (distance) C4'-P energy: -122.183 bonds (distance) P-C4' energy: -119.054 flat angles C4'-P-C4' energy: -150.221 flat angles P-C4'-P energy: -90.924 tors. eta vs tors. theta energy: -187.119 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: 1 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1999.158747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.158747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.158747 (E_RNA) where: Base-Base interactions energy: -1369.125 where: short stacking energy: -598.140 Base-Backbone interact. energy: -0.974 local terms energy: -629.059605 where: bonds (distance) C4'-P energy: -117.544 bonds (distance) P-C4' energy: -125.773 flat angles C4'-P-C4' energy: -143.133 flat angles P-C4'-P energy: -82.233 tors. eta vs tors. theta energy: -160.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -2020.582991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.582991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.582991 (E_RNA) where: Base-Base interactions energy: -1377.850 where: short stacking energy: -581.474 Base-Backbone interact. energy: -0.924 local terms energy: -641.808207 where: bonds (distance) C4'-P energy: -119.191 bonds (distance) P-C4' energy: -120.513 flat angles C4'-P-C4' energy: -131.252 flat angles P-C4'-P energy: -93.489 tors. eta vs tors. theta energy: -177.364 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: 57 Temperature: 1.200000 Total energy: -1709.644563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.644563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.644563 (E_RNA) where: Base-Base interactions energy: -1120.796 where: short stacking energy: -495.654 Base-Backbone interact. energy: -1.326 local terms energy: -587.523162 where: bonds (distance) C4'-P energy: -122.630 bonds (distance) P-C4' energy: -121.730 flat angles C4'-P-C4' energy: -134.423 flat angles P-C4'-P energy: -81.030 tors. eta vs tors. theta energy: -127.710 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: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1639.791151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.791151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.791151 (E_RNA) where: Base-Base interactions energy: -1098.991 where: short stacking energy: -460.574 Base-Backbone interact. energy: 0.755 local terms energy: -541.554858 where: bonds (distance) C4'-P energy: -107.835 bonds (distance) P-C4' energy: -109.359 flat angles C4'-P-C4' energy: -123.576 flat angles P-C4'-P energy: -77.762 tors. eta vs tors. theta energy: -123.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1501.350987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.350987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.350987 (E_RNA) where: Base-Base interactions energy: -1004.609 where: short stacking energy: -451.734 Base-Backbone interact. energy: 2.324 local terms energy: -499.066108 where: bonds (distance) C4'-P energy: -100.899 bonds (distance) P-C4' energy: -100.839 flat angles C4'-P-C4' energy: -126.254 flat angles P-C4'-P energy: -68.693 tors. eta vs tors. theta energy: -102.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -1170.401884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.401884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.401884 (E_RNA) where: Base-Base interactions energy: -734.893 where: short stacking energy: -337.780 Base-Backbone interact. energy: 1.438 local terms energy: -436.946752 where: bonds (distance) C4'-P energy: -98.399 bonds (distance) P-C4' energy: -100.349 flat angles C4'-P-C4' energy: -110.246 flat angles P-C4'-P energy: -81.659 tors. eta vs tors. theta energy: -46.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2421.685170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.685170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.685170 (E_RNA) where: Base-Base interactions energy: -1686.543 where: short stacking energy: -725.752 Base-Backbone interact. energy: -2.372 local terms energy: -732.769714 where: bonds (distance) C4'-P energy: -129.238 bonds (distance) P-C4' energy: -132.752 flat angles C4'-P-C4' energy: -148.811 flat angles P-C4'-P energy: -111.991 tors. eta vs tors. theta energy: -209.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2401.924505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.924505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.924505 (E_RNA) where: Base-Base interactions energy: -1671.225 where: short stacking energy: -719.011 Base-Backbone interact. energy: 0.244 local terms energy: -730.944276 where: bonds (distance) C4'-P energy: -123.037 bonds (distance) P-C4' energy: -140.960 flat angles C4'-P-C4' energy: -145.510 flat angles P-C4'-P energy: -101.439 tors. eta vs tors. theta energy: -219.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2205.230400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.230400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.230400 (E_RNA) where: Base-Base interactions energy: -1524.561 where: short stacking energy: -655.345 Base-Backbone interact. energy: -4.278 local terms energy: -676.391257 where: bonds (distance) C4'-P energy: -128.734 bonds (distance) P-C4' energy: -120.892 flat angles C4'-P-C4' energy: -142.339 flat angles P-C4'-P energy: -92.491 tors. eta vs tors. theta energy: -191.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2225.961428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.961428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.961428 (E_RNA) where: Base-Base interactions energy: -1535.378 where: short stacking energy: -650.745 Base-Backbone interact. energy: -2.509 local terms energy: -688.074395 where: bonds (distance) C4'-P energy: -127.858 bonds (distance) P-C4' energy: -117.699 flat angles C4'-P-C4' energy: -151.851 flat angles P-C4'-P energy: -105.028 tors. eta vs tors. theta energy: -185.639 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: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2102.334679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.334679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.334679 (E_RNA) where: Base-Base interactions energy: -1458.999 where: short stacking energy: -637.446 Base-Backbone interact. energy: -2.194 local terms energy: -641.142116 where: bonds (distance) C4'-P energy: -124.562 bonds (distance) P-C4' energy: -111.876 flat angles C4'-P-C4' energy: -129.840 flat angles P-C4'-P energy: -95.565 tors. eta vs tors. theta energy: -179.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1918.667148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.667148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.667148 (E_RNA) where: Base-Base interactions energy: -1286.239 where: short stacking energy: -576.114 Base-Backbone interact. energy: -1.313 local terms energy: -631.114671 where: bonds (distance) C4'-P energy: -121.727 bonds (distance) P-C4' energy: -126.835 flat angles C4'-P-C4' energy: -134.032 flat angles P-C4'-P energy: -85.726 tors. eta vs tors. theta energy: -162.793 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: 7, replica: 4 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1694.165809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.165809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.165809 (E_RNA) where: Base-Base interactions energy: -1135.887 where: short stacking energy: -511.025 Base-Backbone interact. energy: -0.738 local terms energy: -557.540246 where: bonds (distance) C4'-P energy: -116.315 bonds (distance) P-C4' energy: -91.302 flat angles C4'-P-C4' energy: -148.928 flat angles P-C4'-P energy: -71.510 tors. eta vs tors. theta energy: -129.486 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: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1650.803986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.803986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.803986 (E_RNA) where: Base-Base interactions energy: -1122.268 where: short stacking energy: -482.490 Base-Backbone interact. energy: 0.650 local terms energy: -529.186145 where: bonds (distance) C4'-P energy: -93.856 bonds (distance) P-C4' energy: -127.042 flat angles C4'-P-C4' energy: -121.260 flat angles P-C4'-P energy: -79.173 tors. eta vs tors. theta energy: -107.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1579.069489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.069489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.069489 (E_RNA) where: Base-Base interactions energy: -1072.672 where: short stacking energy: -477.109 Base-Backbone interact. energy: -1.407 local terms energy: -504.990325 where: bonds (distance) C4'-P energy: -108.268 bonds (distance) P-C4' energy: -114.290 flat angles C4'-P-C4' energy: -120.206 flat angles P-C4'-P energy: -74.503 tors. eta vs tors. theta energy: -87.723 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: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1170.116529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.116529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.116529 (E_RNA) where: Base-Base interactions energy: -726.266 where: short stacking energy: -318.108 Base-Backbone interact. energy: 3.621 local terms energy: -447.470936 where: bonds (distance) C4'-P energy: -115.019 bonds (distance) P-C4' energy: -116.802 flat angles C4'-P-C4' energy: -107.869 flat angles P-C4'-P energy: -73.642 tors. eta vs tors. theta energy: -34.139 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: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2409.577028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.577028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.577028 (E_RNA) where: Base-Base interactions energy: -1679.303 where: short stacking energy: -715.505 Base-Backbone interact. energy: 1.431 local terms energy: -731.705079 where: bonds (distance) C4'-P energy: -119.543 bonds (distance) P-C4' energy: -142.452 flat angles C4'-P-C4' energy: -152.954 flat angles P-C4'-P energy: -112.902 tors. eta vs tors. theta energy: -203.855 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: 5 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2395.275338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.275338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.275338 (E_RNA) where: Base-Base interactions energy: -1655.479 where: short stacking energy: -727.353 Base-Backbone interact. energy: -1.540 local terms energy: -738.257124 where: bonds (distance) C4'-P energy: -137.184 bonds (distance) P-C4' energy: -135.887 flat angles C4'-P-C4' energy: -148.724 flat angles P-C4'-P energy: -107.639 tors. eta vs tors. theta energy: -208.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2243.640789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.640789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.640789 (E_RNA) where: Base-Base interactions energy: -1567.719 where: short stacking energy: -669.812 Base-Backbone interact. energy: -2.389 local terms energy: -673.533173 where: bonds (distance) C4'-P energy: -117.283 bonds (distance) P-C4' energy: -104.703 flat angles C4'-P-C4' energy: -154.829 flat angles P-C4'-P energy: -92.715 tors. eta vs tors. theta energy: -204.004 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: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2224.997866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.997866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.997866 (E_RNA) where: Base-Base interactions energy: -1564.489 where: short stacking energy: -646.394 Base-Backbone interact. energy: -3.923 local terms energy: -656.586295 where: bonds (distance) C4'-P energy: -113.780 bonds (distance) P-C4' energy: -121.599 flat angles C4'-P-C4' energy: -141.870 flat angles P-C4'-P energy: -86.932 tors. eta vs tors. theta energy: -192.405 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: 6 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2089.283070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.283070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.283070 (E_RNA) where: Base-Base interactions energy: -1440.225 where: short stacking energy: -619.298 Base-Backbone interact. energy: 0.770 local terms energy: -649.828497 where: bonds (distance) C4'-P energy: -124.141 bonds (distance) P-C4' energy: -121.158 flat angles C4'-P-C4' energy: -146.486 flat angles P-C4'-P energy: -88.487 tors. eta vs tors. theta energy: -169.556 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: 1 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1878.662168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.662168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.662168 (E_RNA) where: Base-Base interactions energy: -1246.912 where: short stacking energy: -553.259 Base-Backbone interact. energy: 0.243 local terms energy: -631.993145 where: bonds (distance) C4'-P energy: -116.227 bonds (distance) P-C4' energy: -119.544 flat angles C4'-P-C4' energy: -148.180 flat angles P-C4'-P energy: -93.347 tors. eta vs tors. theta energy: -154.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1706.363280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.363280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.363280 (E_RNA) where: Base-Base interactions energy: -1155.607 where: short stacking energy: -486.566 Base-Backbone interact. energy: -0.356 local terms energy: -550.400326 where: bonds (distance) C4'-P energy: -99.443 bonds (distance) P-C4' energy: -123.476 flat angles C4'-P-C4' energy: -129.235 flat angles P-C4'-P energy: -71.208 tors. eta vs tors. theta energy: -127.039 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: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1644.044788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.044788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.044788 (E_RNA) where: Base-Base interactions energy: -1116.428 where: short stacking energy: -481.409 Base-Backbone interact. energy: -1.296 local terms energy: -526.320456 where: bonds (distance) C4'-P energy: -103.202 bonds (distance) P-C4' energy: -127.793 flat angles C4'-P-C4' energy: -122.854 flat angles P-C4'-P energy: -65.553 tors. eta vs tors. theta energy: -106.919 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: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1486.131321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.131321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.131321 (E_RNA) where: Base-Base interactions energy: -999.426 where: short stacking energy: -437.937 Base-Backbone interact. energy: 0.390 local terms energy: -487.096076 where: bonds (distance) C4'-P energy: -94.564 bonds (distance) P-C4' energy: -114.994 flat angles C4'-P-C4' energy: -119.254 flat angles P-C4'-P energy: -76.409 tors. eta vs tors. theta energy: -81.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1177.751726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.751726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.751726 (E_RNA) where: Base-Base interactions energy: -783.716 where: short stacking energy: -351.711 Base-Backbone interact. energy: 1.218 local terms energy: -395.253237 where: bonds (distance) C4'-P energy: -95.308 bonds (distance) P-C4' energy: -91.435 flat angles C4'-P-C4' energy: -106.671 flat angles P-C4'-P energy: -48.039 tors. eta vs tors. theta energy: -53.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2407.782218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.782218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.782218 (E_RNA) where: Base-Base interactions energy: -1674.985 where: short stacking energy: -726.723 Base-Backbone interact. energy: -2.693 local terms energy: -730.104286 where: bonds (distance) C4'-P energy: -137.968 bonds (distance) P-C4' energy: -130.549 flat angles C4'-P-C4' energy: -148.065 flat angles P-C4'-P energy: -111.084 tors. eta vs tors. theta energy: -202.438 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: 2, replica: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2383.997458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.997458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.997458 (E_RNA) where: Base-Base interactions energy: -1661.487 where: short stacking energy: -706.208 Base-Backbone interact. energy: -1.482 local terms energy: -721.028297 where: bonds (distance) C4'-P energy: -135.710 bonds (distance) P-C4' energy: -120.076 flat angles C4'-P-C4' energy: -146.756 flat angles P-C4'-P energy: -107.293 tors. eta vs tors. theta energy: -211.193 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: 3, replica: 7 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2259.745260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.745260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.745260 (E_RNA) where: Base-Base interactions energy: -1552.721 where: short stacking energy: -691.038 Base-Backbone interact. energy: -2.415 local terms energy: -704.609422 where: bonds (distance) C4'-P energy: -122.743 bonds (distance) P-C4' energy: -134.222 flat angles C4'-P-C4' energy: -154.726 flat angles P-C4'-P energy: -101.244 tors. eta vs tors. theta energy: -191.674 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: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2225.800340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.800340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.800340 (E_RNA) where: Base-Base interactions energy: -1558.106 where: short stacking energy: -638.892 Base-Backbone interact. energy: -0.531 local terms energy: -667.163042 where: bonds (distance) C4'-P energy: -122.058 bonds (distance) P-C4' energy: -128.933 flat angles C4'-P-C4' energy: -139.244 flat angles P-C4'-P energy: -96.808 tors. eta vs tors. theta energy: -180.120 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: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2116.047167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.047167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.047167 (E_RNA) where: Base-Base interactions energy: -1497.861 where: short stacking energy: -613.177 Base-Backbone interact. energy: 4.955 local terms energy: -623.141036 where: bonds (distance) C4'-P energy: -115.964 bonds (distance) P-C4' energy: -106.169 flat angles C4'-P-C4' energy: -137.432 flat angles P-C4'-P energy: -96.492 tors. eta vs tors. theta energy: -167.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1872.376979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.376979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.376979 (E_RNA) where: Base-Base interactions energy: -1266.990 where: short stacking energy: -575.055 Base-Backbone interact. energy: -4.230 local terms energy: -601.156897 where: bonds (distance) C4'-P energy: -110.218 bonds (distance) P-C4' energy: -108.888 flat angles C4'-P-C4' energy: -131.894 flat angles P-C4'-P energy: -84.496 tors. eta vs tors. theta energy: -165.661 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: 10 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1777.216119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.216119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.216119 (E_RNA) where: Base-Base interactions energy: -1196.098 where: short stacking energy: -499.693 Base-Backbone interact. energy: -0.784 local terms energy: -580.334690 where: bonds (distance) C4'-P energy: -114.839 bonds (distance) P-C4' energy: -112.812 flat angles C4'-P-C4' energy: -108.609 flat angles P-C4'-P energy: -89.438 tors. eta vs tors. theta energy: -154.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1627.674924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.674924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.674924 (E_RNA) where: Base-Base interactions energy: -1045.147 where: short stacking energy: -466.932 Base-Backbone interact. energy: -2.030 local terms energy: -580.497568 where: bonds (distance) C4'-P energy: -110.490 bonds (distance) P-C4' energy: -125.170 flat angles C4'-P-C4' energy: -119.264 flat angles P-C4'-P energy: -98.658 tors. eta vs tors. theta energy: -126.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1539.190045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.190045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.190045 (E_RNA) where: Base-Base interactions energy: -988.865 where: short stacking energy: -418.840 Base-Backbone interact. energy: -0.647 local terms energy: -549.678205 where: bonds (distance) C4'-P energy: -119.355 bonds (distance) P-C4' energy: -128.735 flat angles C4'-P-C4' energy: -131.109 flat angles P-C4'-P energy: -71.304 tors. eta vs tors. theta energy: -99.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1160.747079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.747079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.747079 (E_RNA) where: Base-Base interactions energy: -711.697 where: short stacking energy: -322.365 Base-Backbone interact. energy: 1.841 local terms energy: -450.891993 where: bonds (distance) C4'-P energy: -118.098 bonds (distance) P-C4' energy: -105.539 flat angles C4'-P-C4' energy: -113.072 flat angles P-C4'-P energy: -65.995 tors. eta vs tors. theta energy: -48.188 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: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2413.414234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.414234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.414234 (E_RNA) where: Base-Base interactions energy: -1687.036 where: short stacking energy: -702.153 Base-Backbone interact. energy: -2.243 local terms energy: -724.135916 where: bonds (distance) C4'-P energy: -138.191 bonds (distance) P-C4' energy: -135.578 flat angles C4'-P-C4' energy: -145.897 flat angles P-C4'-P energy: -100.373 tors. eta vs tors. theta energy: -204.098 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: 5 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2378.726486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.726486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.726486 (E_RNA) where: Base-Base interactions energy: -1662.101 where: short stacking energy: -710.907 Base-Backbone interact. energy: -1.822 local terms energy: -714.803985 where: bonds (distance) C4'-P energy: -123.133 bonds (distance) P-C4' energy: -123.382 flat angles C4'-P-C4' energy: -155.321 flat angles P-C4'-P energy: -91.783 tors. eta vs tors. theta energy: -221.185 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: 7 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2271.935234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.935234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.935234 (E_RNA) where: Base-Base interactions energy: -1583.552 where: short stacking energy: -695.097 Base-Backbone interact. energy: -4.916 local terms energy: -683.466625 where: bonds (distance) C4'-P energy: -122.963 bonds (distance) P-C4' energy: -112.322 flat angles C4'-P-C4' energy: -149.112 flat angles P-C4'-P energy: -106.322 tors. eta vs tors. theta energy: -192.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2223.502475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.502475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.502475 (E_RNA) where: Base-Base interactions energy: -1538.717 where: short stacking energy: -642.618 Base-Backbone interact. energy: -3.268 local terms energy: -681.517285 where: bonds (distance) C4'-P energy: -118.840 bonds (distance) P-C4' energy: -126.882 flat angles C4'-P-C4' energy: -144.250 flat angles P-C4'-P energy: -94.708 tors. eta vs tors. theta energy: -196.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2134.530864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.530864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.530864 (E_RNA) where: Base-Base interactions energy: -1480.039 where: short stacking energy: -623.235 Base-Backbone interact. energy: -2.431 local terms energy: -652.060755 where: bonds (distance) C4'-P energy: -127.669 bonds (distance) P-C4' energy: -109.872 flat angles C4'-P-C4' energy: -144.961 flat angles P-C4'-P energy: -88.730 tors. eta vs tors. theta energy: -180.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1928.521703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.521703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.521703 (E_RNA) where: Base-Base interactions energy: -1326.074 where: short stacking energy: -569.463 Base-Backbone interact. energy: 1.578 local terms energy: -604.025731 where: bonds (distance) C4'-P energy: -111.001 bonds (distance) P-C4' energy: -115.243 flat angles C4'-P-C4' energy: -132.291 flat angles P-C4'-P energy: -93.507 tors. eta vs tors. theta energy: -151.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1702.769247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.769247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.769247 (E_RNA) where: Base-Base interactions energy: -1163.725 where: short stacking energy: -498.374 Base-Backbone interact. energy: -0.622 local terms energy: -538.422522 where: bonds (distance) C4'-P energy: -118.925 bonds (distance) P-C4' energy: -118.350 flat angles C4'-P-C4' energy: -116.434 flat angles P-C4'-P energy: -61.866 tors. eta vs tors. theta energy: -122.847 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: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1622.457025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.457025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.457025 (E_RNA) where: Base-Base interactions energy: -1102.298 where: short stacking energy: -479.071 Base-Backbone interact. energy: -1.297 local terms energy: -518.861732 where: bonds (distance) C4'-P energy: -108.805 bonds (distance) P-C4' energy: -112.460 flat angles C4'-P-C4' energy: -129.802 flat angles P-C4'-P energy: -65.012 tors. eta vs tors. theta energy: -102.782 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: 4 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1447.314305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.314305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.314305 (E_RNA) where: Base-Base interactions energy: -970.442 where: short stacking energy: -436.520 Base-Backbone interact. energy: 6.192 local terms energy: -483.064800 where: bonds (distance) C4'-P energy: -109.057 bonds (distance) P-C4' energy: -106.338 flat angles C4'-P-C4' energy: -105.982 flat angles P-C4'-P energy: -66.933 tors. eta vs tors. theta energy: -94.756 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: 61 Temperature: 1.350000 Total energy: -1141.476799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.476799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.476799 (E_RNA) where: Base-Base interactions energy: -719.524 where: short stacking energy: -304.596 Base-Backbone interact. energy: -1.805 local terms energy: -420.147855 where: bonds (distance) C4'-P energy: -104.299 bonds (distance) P-C4' energy: -102.575 flat angles C4'-P-C4' energy: -91.823 flat angles P-C4'-P energy: -77.933 tors. eta vs tors. theta energy: -43.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2458.626724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.626724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.626724 (E_RNA) where: Base-Base interactions energy: -1708.147 where: short stacking energy: -735.206 Base-Backbone interact. energy: -2.392 local terms energy: -748.087529 where: bonds (distance) C4'-P energy: -133.106 bonds (distance) P-C4' energy: -139.181 flat angles C4'-P-C4' energy: -158.036 flat angles P-C4'-P energy: -102.746 tors. eta vs tors. theta energy: -215.018 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: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2372.467474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.467474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.467474 (E_RNA) where: Base-Base interactions energy: -1663.730 where: short stacking energy: -686.285 Base-Backbone interact. energy: -3.389 local terms energy: -705.348402 where: bonds (distance) C4'-P energy: -124.462 bonds (distance) P-C4' energy: -133.333 flat angles C4'-P-C4' energy: -146.096 flat angles P-C4'-P energy: -100.781 tors. eta vs tors. theta energy: -200.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2326.487762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.487762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.487762 (E_RNA) where: Base-Base interactions energy: -1616.494 where: short stacking energy: -696.342 Base-Backbone interact. energy: -5.963 local terms energy: -704.031350 where: bonds (distance) C4'-P energy: -122.291 bonds (distance) P-C4' energy: -126.279 flat angles C4'-P-C4' energy: -155.723 flat angles P-C4'-P energy: -105.298 tors. eta vs tors. theta energy: -194.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2233.252864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.252864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.252864 (E_RNA) where: Base-Base interactions energy: -1551.214 where: short stacking energy: -667.888 Base-Backbone interact. energy: -3.129 local terms energy: -678.909851 where: bonds (distance) C4'-P energy: -124.830 bonds (distance) P-C4' energy: -115.648 flat angles C4'-P-C4' energy: -151.605 flat angles P-C4'-P energy: -85.558 tors. eta vs tors. theta energy: -201.269 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: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2152.917529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.917529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.917529 (E_RNA) where: Base-Base interactions energy: -1487.134 where: short stacking energy: -631.762 Base-Backbone interact. energy: -0.255 local terms energy: -665.528078 where: bonds (distance) C4'-P energy: -118.506 bonds (distance) P-C4' energy: -107.305 flat angles C4'-P-C4' energy: -137.247 flat angles P-C4'-P energy: -113.571 tors. eta vs tors. theta energy: -188.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1931.000601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.000601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.000601 (E_RNA) where: Base-Base interactions energy: -1298.859 where: short stacking energy: -557.152 Base-Backbone interact. energy: -6.229 local terms energy: -625.912382 where: bonds (distance) C4'-P energy: -112.144 bonds (distance) P-C4' energy: -126.728 flat angles C4'-P-C4' energy: -129.616 flat angles P-C4'-P energy: -97.168 tors. eta vs tors. theta energy: -160.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1751.481395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.481395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.481395 (E_RNA) where: Base-Base interactions energy: -1181.371 where: short stacking energy: -520.323 Base-Backbone interact. energy: 2.830 local terms energy: -572.940014 where: bonds (distance) C4'-P energy: -101.360 bonds (distance) P-C4' energy: -115.329 flat angles C4'-P-C4' energy: -129.159 flat angles P-C4'-P energy: -85.656 tors. eta vs tors. theta energy: -141.436 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: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1606.979794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.979794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.979794 (E_RNA) where: Base-Base interactions energy: -1079.685 where: short stacking energy: -487.861 Base-Backbone interact. energy: -1.834 local terms energy: -525.459974 where: bonds (distance) C4'-P energy: -106.606 bonds (distance) P-C4' energy: -96.297 flat angles C4'-P-C4' energy: -127.042 flat angles P-C4'-P energy: -68.348 tors. eta vs tors. theta energy: -127.166 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: 4 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1470.217306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.217306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.217306 (E_RNA) where: Base-Base interactions energy: -988.468 where: short stacking energy: -425.154 Base-Backbone interact. energy: -1.927 local terms energy: -479.822362 where: bonds (distance) C4'-P energy: -94.666 bonds (distance) P-C4' energy: -121.838 flat angles C4'-P-C4' energy: -107.668 flat angles P-C4'-P energy: -64.499 tors. eta vs tors. theta energy: -91.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1170.899915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.899915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.899915 (E_RNA) where: Base-Base interactions energy: -747.078 where: short stacking energy: -335.505 Base-Backbone interact. energy: -0.273 local terms energy: -423.548916 where: bonds (distance) C4'-P energy: -90.750 bonds (distance) P-C4' energy: -112.294 flat angles C4'-P-C4' energy: -99.637 flat angles P-C4'-P energy: -55.480 tors. eta vs tors. theta energy: -65.388 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: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2466.740829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.740829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.740829 (E_RNA) where: Base-Base interactions energy: -1719.853 where: short stacking energy: -722.333 Base-Backbone interact. energy: 1.362 local terms energy: -748.249434 where: bonds (distance) C4'-P energy: -129.300 bonds (distance) P-C4' energy: -140.789 flat angles C4'-P-C4' energy: -158.756 flat angles P-C4'-P energy: -101.395 tors. eta vs tors. theta energy: -218.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2358.045927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.045927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.045927 (E_RNA) where: Base-Base interactions energy: -1671.355 where: short stacking energy: -690.946 Base-Backbone interact. energy: -2.208 local terms energy: -684.483302 where: bonds (distance) C4'-P energy: -116.412 bonds (distance) P-C4' energy: -127.767 flat angles C4'-P-C4' energy: -144.228 flat angles P-C4'-P energy: -100.822 tors. eta vs tors. theta energy: -195.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2283.843052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.843052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.843052 (E_RNA) where: Base-Base interactions energy: -1589.333 where: short stacking energy: -674.917 Base-Backbone interact. energy: 6.443 local terms energy: -700.953177 where: bonds (distance) C4'-P energy: -134.599 bonds (distance) P-C4' energy: -131.588 flat angles C4'-P-C4' energy: -143.963 flat angles P-C4'-P energy: -101.245 tors. eta vs tors. theta energy: -189.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2239.052765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.052765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.052765 (E_RNA) where: Base-Base interactions energy: -1549.180 where: short stacking energy: -658.407 Base-Backbone interact. energy: -1.143 local terms energy: -688.729404 where: bonds (distance) C4'-P energy: -130.090 bonds (distance) P-C4' energy: -122.854 flat angles C4'-P-C4' energy: -148.425 flat angles P-C4'-P energy: -92.807 tors. eta vs tors. theta energy: -194.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2137.344339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.344339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.344339 (E_RNA) where: Base-Base interactions energy: -1492.089 where: short stacking energy: -602.726 Base-Backbone interact. energy: 0.583 local terms energy: -645.838249 where: bonds (distance) C4'-P energy: -124.697 bonds (distance) P-C4' energy: -119.699 flat angles C4'-P-C4' energy: -135.493 flat angles P-C4'-P energy: -93.514 tors. eta vs tors. theta energy: -172.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1931.719468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.719468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.719468 (E_RNA) where: Base-Base interactions energy: -1319.301 where: short stacking energy: -598.629 Base-Backbone interact. energy: 0.453 local terms energy: -612.871315 where: bonds (distance) C4'-P energy: -116.826 bonds (distance) P-C4' energy: -116.011 flat angles C4'-P-C4' energy: -128.033 flat angles P-C4'-P energy: -83.449 tors. eta vs tors. theta energy: -168.552 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: 10 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1720.795167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.795167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.795167 (E_RNA) where: Base-Base interactions energy: -1182.413 where: short stacking energy: -520.203 Base-Backbone interact. energy: -0.684 local terms energy: -537.698185 where: bonds (distance) C4'-P energy: -114.475 bonds (distance) P-C4' energy: -99.894 flat angles C4'-P-C4' energy: -123.687 flat angles P-C4'-P energy: -58.396 tors. eta vs tors. theta energy: -141.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1624.379858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.379858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.379858 (E_RNA) where: Base-Base interactions energy: -1126.929 where: short stacking energy: -473.324 Base-Backbone interact. energy: 8.761 local terms energy: -506.211676 where: bonds (distance) C4'-P energy: -100.836 bonds (distance) P-C4' energy: -115.542 flat angles C4'-P-C4' energy: -113.486 flat angles P-C4'-P energy: -73.119 tors. eta vs tors. theta energy: -103.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1430.045092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.045092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.045092 (E_RNA) where: Base-Base interactions energy: -948.867 where: short stacking energy: -415.646 Base-Backbone interact. energy: -2.750 local terms energy: -478.427636 where: bonds (distance) C4'-P energy: -104.951 bonds (distance) P-C4' energy: -100.200 flat angles C4'-P-C4' energy: -121.481 flat angles P-C4'-P energy: -65.738 tors. eta vs tors. theta energy: -86.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1157.705913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.705913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.705913 (E_RNA) where: Base-Base interactions energy: -737.458 where: short stacking energy: -325.706 Base-Backbone interact. energy: -1.411 local terms energy: -418.837367 where: bonds (distance) C4'-P energy: -101.951 bonds (distance) P-C4' energy: -113.249 flat angles C4'-P-C4' energy: -101.673 flat angles P-C4'-P energy: -54.096 tors. eta vs tors. theta energy: -47.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2458.629989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.629989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.629989 (E_RNA) where: Base-Base interactions energy: -1723.799 where: short stacking energy: -724.680 Base-Backbone interact. energy: -2.706 local terms energy: -732.124624 where: bonds (distance) C4'-P energy: -115.434 bonds (distance) P-C4' energy: -136.289 flat angles C4'-P-C4' energy: -161.942 flat angles P-C4'-P energy: -107.046 tors. eta vs tors. theta energy: -211.413 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: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2365.638819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.638819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.638819 (E_RNA) where: Base-Base interactions energy: -1662.442 where: short stacking energy: -695.867 Base-Backbone interact. energy: -0.441 local terms energy: -702.756113 where: bonds (distance) C4'-P energy: -118.502 bonds (distance) P-C4' energy: -133.546 flat angles C4'-P-C4' energy: -138.229 flat angles P-C4'-P energy: -106.621 tors. eta vs tors. theta energy: -205.857 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: 7 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2288.501543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.501543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.501543 (E_RNA) where: Base-Base interactions energy: -1586.096 where: short stacking energy: -682.617 Base-Backbone interact. energy: -0.510 local terms energy: -701.895482 where: bonds (distance) C4'-P energy: -121.565 bonds (distance) P-C4' energy: -125.862 flat angles C4'-P-C4' energy: -146.474 flat angles P-C4'-P energy: -111.212 tors. eta vs tors. theta energy: -196.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2214.025877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.025877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.025877 (E_RNA) where: Base-Base interactions energy: -1560.851 where: short stacking energy: -664.799 Base-Backbone interact. energy: -1.622 local terms energy: -651.552923 where: bonds (distance) C4'-P energy: -106.337 bonds (distance) P-C4' energy: -135.590 flat angles C4'-P-C4' energy: -139.005 flat angles P-C4'-P energy: -87.941 tors. eta vs tors. theta energy: -182.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2187.572953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.572953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.572953 (E_RNA) where: Base-Base interactions energy: -1499.519 where: short stacking energy: -644.496 Base-Backbone interact. energy: -1.184 local terms energy: -686.870117 where: bonds (distance) C4'-P energy: -115.286 bonds (distance) P-C4' energy: -127.557 flat angles C4'-P-C4' energy: -145.157 flat angles P-C4'-P energy: -100.643 tors. eta vs tors. theta energy: -198.228 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: 6, replica: 1 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1875.202400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.202400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.202400 (E_RNA) where: Base-Base interactions energy: -1282.663 where: short stacking energy: -559.035 Base-Backbone interact. energy: -1.914 local terms energy: -590.625186 where: bonds (distance) C4'-P energy: -108.324 bonds (distance) P-C4' energy: -125.010 flat angles C4'-P-C4' energy: -119.565 flat angles P-C4'-P energy: -72.304 tors. eta vs tors. theta energy: -165.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1766.656245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.656245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.656245 (E_RNA) where: Base-Base interactions energy: -1214.134 where: short stacking energy: -525.446 Base-Backbone interact. energy: -1.348 local terms energy: -551.174106 where: bonds (distance) C4'-P energy: -107.732 bonds (distance) P-C4' energy: -105.450 flat angles C4'-P-C4' energy: -119.442 flat angles P-C4'-P energy: -81.051 tors. eta vs tors. theta energy: -137.499 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: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1611.887414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.887414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.887414 (E_RNA) where: Base-Base interactions energy: -1081.487 where: short stacking energy: -463.636 Base-Backbone interact. energy: -2.140 local terms energy: -528.260852 where: bonds (distance) C4'-P energy: -117.707 bonds (distance) P-C4' energy: -114.469 flat angles C4'-P-C4' energy: -127.296 flat angles P-C4'-P energy: -63.226 tors. eta vs tors. theta energy: -105.563 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: 4 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1413.420658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.420658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.420658 (E_RNA) where: Base-Base interactions energy: -926.279 where: short stacking energy: -394.140 Base-Backbone interact. energy: 5.930 local terms energy: -493.071744 where: bonds (distance) C4'-P energy: -101.205 bonds (distance) P-C4' energy: -110.499 flat angles C4'-P-C4' energy: -119.055 flat angles P-C4'-P energy: -79.493 tors. eta vs tors. theta energy: -82.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1165.668528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.668528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.668528 (E_RNA) where: Base-Base interactions energy: -745.218 where: short stacking energy: -322.475 Base-Backbone interact. energy: 2.278 local terms energy: -422.729079 where: bonds (distance) C4'-P energy: -100.048 bonds (distance) P-C4' energy: -115.531 flat angles C4'-P-C4' energy: -92.555 flat angles P-C4'-P energy: -59.645 tors. eta vs tors. theta energy: -54.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2456.270096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.270096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.270096 (E_RNA) where: Base-Base interactions energy: -1698.063 where: short stacking energy: -737.018 Base-Backbone interact. energy: -4.313 local terms energy: -753.893920 where: bonds (distance) C4'-P energy: -128.392 bonds (distance) P-C4' energy: -132.247 flat angles C4'-P-C4' energy: -166.686 flat angles P-C4'-P energy: -108.456 tors. eta vs tors. theta energy: -218.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2377.065172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.065172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.065172 (E_RNA) where: Base-Base interactions energy: -1660.036 where: short stacking energy: -716.177 Base-Backbone interact. energy: -2.563 local terms energy: -714.466831 where: bonds (distance) C4'-P energy: -123.678 bonds (distance) P-C4' energy: -132.933 flat angles C4'-P-C4' energy: -143.496 flat angles P-C4'-P energy: -108.105 tors. eta vs tors. theta energy: -206.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2310.030238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.030238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.030238 (E_RNA) where: Base-Base interactions energy: -1615.852 where: short stacking energy: -683.552 Base-Backbone interact. energy: -1.515 local terms energy: -692.663850 where: bonds (distance) C4'-P energy: -125.306 bonds (distance) P-C4' energy: -122.148 flat angles C4'-P-C4' energy: -145.841 flat angles P-C4'-P energy: -99.642 tors. eta vs tors. theta energy: -199.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2249.212954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.212954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.212954 (E_RNA) where: Base-Base interactions energy: -1572.073 where: short stacking energy: -684.138 Base-Backbone interact. energy: -2.122 local terms energy: -675.018257 where: bonds (distance) C4'-P energy: -129.330 bonds (distance) P-C4' energy: -122.579 flat angles C4'-P-C4' energy: -140.241 flat angles P-C4'-P energy: -86.888 tors. eta vs tors. theta energy: -195.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2181.047377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.047377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.047377 (E_RNA) where: Base-Base interactions energy: -1508.377 where: short stacking energy: -648.037 Base-Backbone interact. energy: -1.627 local terms energy: -671.043596 where: bonds (distance) C4'-P energy: -129.127 bonds (distance) P-C4' energy: -107.972 flat angles C4'-P-C4' energy: -136.865 flat angles P-C4'-P energy: -95.558 tors. eta vs tors. theta energy: -201.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1886.464235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.464235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.464235 (E_RNA) where: Base-Base interactions energy: -1261.522 where: short stacking energy: -542.280 Base-Backbone interact. energy: -2.196 local terms energy: -622.746372 where: bonds (distance) C4'-P energy: -114.221 bonds (distance) P-C4' energy: -123.724 flat angles C4'-P-C4' energy: -147.436 flat angles P-C4'-P energy: -75.980 tors. eta vs tors. theta energy: -161.384 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: 10 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1738.281612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.281612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.281612 (E_RNA) where: Base-Base interactions energy: -1166.825 where: short stacking energy: -475.402 Base-Backbone interact. energy: -3.511 local terms energy: -567.945015 where: bonds (distance) C4'-P energy: -120.424 bonds (distance) P-C4' energy: -107.615 flat angles C4'-P-C4' energy: -117.127 flat angles P-C4'-P energy: -82.487 tors. eta vs tors. theta energy: -140.293 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: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1652.155294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.155294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.155294 (E_RNA) where: Base-Base interactions energy: -1095.132 where: short stacking energy: -474.879 Base-Backbone interact. energy: -0.606 local terms energy: -556.417596 where: bonds (distance) C4'-P energy: -124.379 bonds (distance) P-C4' energy: -119.135 flat angles C4'-P-C4' energy: -125.287 flat angles P-C4'-P energy: -69.595 tors. eta vs tors. theta energy: -118.022 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: 4 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1330.522908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.522908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.522908 (E_RNA) where: Base-Base interactions energy: -860.538 where: short stacking energy: -392.159 Base-Backbone interact. energy: 1.332 local terms energy: -471.317025 where: bonds (distance) C4'-P energy: -111.014 bonds (distance) P-C4' energy: -109.847 flat angles C4'-P-C4' energy: -107.739 flat angles P-C4'-P energy: -64.433 tors. eta vs tors. theta energy: -78.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1057.384266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.384266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.384266 (E_RNA) where: Base-Base interactions energy: -647.659 where: short stacking energy: -280.731 Base-Backbone interact. energy: 4.002 local terms energy: -413.726760 where: bonds (distance) C4'-P energy: -100.986 bonds (distance) P-C4' energy: -101.569 flat angles C4'-P-C4' energy: -104.437 flat angles P-C4'-P energy: -66.264 tors. eta vs tors. theta energy: -40.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2445.147609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.147609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.147609 (E_RNA) where: Base-Base interactions energy: -1706.432 where: short stacking energy: -707.764 Base-Backbone interact. energy: -1.594 local terms energy: -737.121408 where: bonds (distance) C4'-P energy: -134.766 bonds (distance) P-C4' energy: -137.293 flat angles C4'-P-C4' energy: -149.500 flat angles P-C4'-P energy: -102.569 tors. eta vs tors. theta energy: -212.994 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: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2376.751044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.751044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.751044 (E_RNA) where: Base-Base interactions energy: -1661.084 where: short stacking energy: -690.868 Base-Backbone interact. energy: 3.393 local terms energy: -719.060338 where: bonds (distance) C4'-P energy: -121.664 bonds (distance) P-C4' energy: -140.686 flat angles C4'-P-C4' energy: -146.668 flat angles P-C4'-P energy: -107.339 tors. eta vs tors. theta energy: -202.703 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: 7 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2288.880384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.880384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.880384 (E_RNA) where: Base-Base interactions energy: -1603.984 where: short stacking energy: -680.424 Base-Backbone interact. energy: -3.734 local terms energy: -681.162719 where: bonds (distance) C4'-P energy: -118.996 bonds (distance) P-C4' energy: -128.245 flat angles C4'-P-C4' energy: -150.464 flat angles P-C4'-P energy: -89.032 tors. eta vs tors. theta energy: -194.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2288.265179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.265179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.265179 (E_RNA) where: Base-Base interactions energy: -1575.502 where: short stacking energy: -659.412 Base-Backbone interact. energy: -2.918 local terms energy: -709.845150 where: bonds (distance) C4'-P energy: -128.618 bonds (distance) P-C4' energy: -138.005 flat angles C4'-P-C4' energy: -146.574 flat angles P-C4'-P energy: -102.752 tors. eta vs tors. theta energy: -193.896 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: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2156.036234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.036234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.036234 (E_RNA) where: Base-Base interactions energy: -1505.408 where: short stacking energy: -628.577 Base-Backbone interact. energy: -3.337 local terms energy: -647.290614 where: bonds (distance) C4'-P energy: -113.555 bonds (distance) P-C4' energy: -96.827 flat angles C4'-P-C4' energy: -146.925 flat angles P-C4'-P energy: -98.896 tors. eta vs tors. theta energy: -191.087 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: 6, replica: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1889.636006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.636006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.636006 (E_RNA) where: Base-Base interactions energy: -1303.650 where: short stacking energy: -571.205 Base-Backbone interact. energy: -3.855 local terms energy: -582.131340 where: bonds (distance) C4'-P energy: -104.616 bonds (distance) P-C4' energy: -100.446 flat angles C4'-P-C4' energy: -127.061 flat angles P-C4'-P energy: -81.529 tors. eta vs tors. theta energy: -168.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1705.255147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.255147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.255147 (E_RNA) where: Base-Base interactions energy: -1158.437 where: short stacking energy: -499.335 Base-Backbone interact. energy: 1.980 local terms energy: -548.798636 where: bonds (distance) C4'-P energy: -116.373 bonds (distance) P-C4' energy: -109.666 flat angles C4'-P-C4' energy: -128.172 flat angles P-C4'-P energy: -80.290 tors. eta vs tors. theta energy: -114.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1636.774278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.774278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.774278 (E_RNA) where: Base-Base interactions energy: -1092.818 where: short stacking energy: -448.919 Base-Backbone interact. energy: -2.241 local terms energy: -541.715901 where: bonds (distance) C4'-P energy: -92.462 bonds (distance) P-C4' energy: -116.228 flat angles C4'-P-C4' energy: -118.856 flat angles P-C4'-P energy: -93.407 tors. eta vs tors. theta energy: -120.762 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: 4 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1354.458200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.458200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.458200 (E_RNA) where: Base-Base interactions energy: -889.036 where: short stacking energy: -380.629 Base-Backbone interact. energy: 0.005 local terms energy: -465.426739 where: bonds (distance) C4'-P energy: -123.668 bonds (distance) P-C4' energy: -90.093 flat angles C4'-P-C4' energy: -109.353 flat angles P-C4'-P energy: -72.363 tors. eta vs tors. theta energy: -69.950 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: 8 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -1164.102770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.102770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.102770 (E_RNA) where: Base-Base interactions energy: -757.846 where: short stacking energy: -346.847 Base-Backbone interact. energy: -3.752 local terms energy: -402.504300 where: bonds (distance) C4'-P energy: -106.156 bonds (distance) P-C4' energy: -93.158 flat angles C4'-P-C4' energy: -83.981 flat angles P-C4'-P energy: -62.023 tors. eta vs tors. theta energy: -57.186 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: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2439.431419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.431419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.431419 (E_RNA) where: Base-Base interactions energy: -1688.349 where: short stacking energy: -718.599 Base-Backbone interact. energy: -2.953 local terms energy: -748.129625 where: bonds (distance) C4'-P energy: -142.130 bonds (distance) P-C4' energy: -137.333 flat angles C4'-P-C4' energy: -144.822 flat angles P-C4'-P energy: -107.838 tors. eta vs tors. theta energy: -216.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2387.703199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.703199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.703199 (E_RNA) where: Base-Base interactions energy: -1669.499 where: short stacking energy: -682.171 Base-Backbone interact. energy: -1.756 local terms energy: -716.448442 where: bonds (distance) C4'-P energy: -132.728 bonds (distance) P-C4' energy: -120.930 flat angles C4'-P-C4' energy: -152.267 flat angles P-C4'-P energy: -115.744 tors. eta vs tors. theta energy: -194.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2323.592007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.592007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.592007 (E_RNA) where: Base-Base interactions energy: -1623.940 where: short stacking energy: -702.883 Base-Backbone interact. energy: -1.926 local terms energy: -697.725949 where: bonds (distance) C4'-P energy: -114.692 bonds (distance) P-C4' energy: -126.855 flat angles C4'-P-C4' energy: -156.712 flat angles P-C4'-P energy: -84.289 tors. eta vs tors. theta energy: -215.178 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: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2268.434761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.434761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.434761 (E_RNA) where: Base-Base interactions energy: -1575.516 where: short stacking energy: -678.472 Base-Backbone interact. energy: -1.164 local terms energy: -691.754053 where: bonds (distance) C4'-P energy: -110.449 bonds (distance) P-C4' energy: -128.048 flat angles C4'-P-C4' energy: -155.918 flat angles P-C4'-P energy: -99.280 tors. eta vs tors. theta energy: -198.060 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: 67 Temperature: 1.100000 Total energy: -2126.617331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.617331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.617331 (E_RNA) where: Base-Base interactions energy: -1466.364 where: short stacking energy: -600.601 Base-Backbone interact. energy: -3.063 local terms energy: -657.190824 where: bonds (distance) C4'-P energy: -118.359 bonds (distance) P-C4' energy: -124.044 flat angles C4'-P-C4' energy: -144.004 flat angles P-C4'-P energy: -91.995 tors. eta vs tors. theta energy: -178.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1870.430542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.430542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.430542 (E_RNA) where: Base-Base interactions energy: -1294.966 where: short stacking energy: -542.738 Base-Backbone interact. energy: -1.458 local terms energy: -574.006486 where: bonds (distance) C4'-P energy: -96.793 bonds (distance) P-C4' energy: -111.719 flat angles C4'-P-C4' energy: -128.920 flat angles P-C4'-P energy: -94.461 tors. eta vs tors. theta energy: -142.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1767.631322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.631322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.631322 (E_RNA) where: Base-Base interactions energy: -1232.121 where: short stacking energy: -536.067 Base-Backbone interact. energy: 1.325 local terms energy: -536.834690 where: bonds (distance) C4'-P energy: -95.477 bonds (distance) P-C4' energy: -108.666 flat angles C4'-P-C4' energy: -116.652 flat angles P-C4'-P energy: -72.296 tors. eta vs tors. theta energy: -143.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1629.354531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.354531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.354531 (E_RNA) where: Base-Base interactions energy: -1098.905 where: short stacking energy: -481.407 Base-Backbone interact. energy: 2.333 local terms energy: -532.783206 where: bonds (distance) C4'-P energy: -107.056 bonds (distance) P-C4' energy: -131.144 flat angles C4'-P-C4' energy: -114.740 flat angles P-C4'-P energy: -59.359 tors. eta vs tors. theta energy: -120.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1406.771270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.771270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.771270 (E_RNA) where: Base-Base interactions energy: -942.471 where: short stacking energy: -386.945 Base-Backbone interact. energy: 2.103 local terms energy: -466.403782 where: bonds (distance) C4'-P energy: -99.319 bonds (distance) P-C4' energy: -126.879 flat angles C4'-P-C4' energy: -87.711 flat angles P-C4'-P energy: -66.243 tors. eta vs tors. theta energy: -86.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1095.913360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.913360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.913360 (E_RNA) where: Base-Base interactions energy: -668.101 where: short stacking energy: -297.074 Base-Backbone interact. energy: 2.593 local terms energy: -430.404550 where: bonds (distance) C4'-P energy: -111.928 bonds (distance) P-C4' energy: -118.500 flat angles C4'-P-C4' energy: -99.927 flat angles P-C4'-P energy: -63.047 tors. eta vs tors. theta energy: -37.001 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: 68 Temperature: 0.900000 Total energy: -2473.674297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.674297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.674297 (E_RNA) where: Base-Base interactions energy: -1726.808 where: short stacking energy: -725.513 Base-Backbone interact. energy: -2.120 local terms energy: -744.745700 where: bonds (distance) C4'-P energy: -137.813 bonds (distance) P-C4' energy: -128.688 flat angles C4'-P-C4' energy: -155.927 flat angles P-C4'-P energy: -96.688 tors. eta vs tors. theta energy: -225.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2400.270793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.270793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.270793 (E_RNA) where: Base-Base interactions energy: -1697.536 where: short stacking energy: -715.042 Base-Backbone interact. energy: -3.744 local terms energy: -698.990799 where: bonds (distance) C4'-P energy: -119.142 bonds (distance) P-C4' energy: -125.333 flat angles C4'-P-C4' energy: -143.864 flat angles P-C4'-P energy: -104.108 tors. eta vs tors. theta energy: -206.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2335.103807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.103807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.103807 (E_RNA) where: Base-Base interactions energy: -1642.539 where: short stacking energy: -699.448 Base-Backbone interact. energy: -3.848 local terms energy: -688.717134 where: bonds (distance) C4'-P energy: -123.498 bonds (distance) P-C4' energy: -120.298 flat angles C4'-P-C4' energy: -147.680 flat angles P-C4'-P energy: -91.581 tors. eta vs tors. theta energy: -205.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2300.535581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.535581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.535581 (E_RNA) where: Base-Base interactions energy: -1612.096 where: short stacking energy: -665.713 Base-Backbone interact. energy: -3.364 local terms energy: -685.074865 where: bonds (distance) C4'-P energy: -118.945 bonds (distance) P-C4' energy: -135.781 flat angles C4'-P-C4' energy: -154.324 flat angles P-C4'-P energy: -92.862 tors. eta vs tors. theta energy: -183.163 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: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2191.994266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.994266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.994266 (E_RNA) where: Base-Base interactions energy: -1531.531 where: short stacking energy: -655.346 Base-Backbone interact. energy: -0.961 local terms energy: -659.502443 where: bonds (distance) C4'-P energy: -119.937 bonds (distance) P-C4' energy: -113.621 flat angles C4'-P-C4' energy: -141.649 flat angles P-C4'-P energy: -95.958 tors. eta vs tors. theta energy: -188.337 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: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1912.136906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.136906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.136906 (E_RNA) where: Base-Base interactions energy: -1304.130 where: short stacking energy: -569.085 Base-Backbone interact. energy: 2.953 local terms energy: -610.960384 where: bonds (distance) C4'-P energy: -122.682 bonds (distance) P-C4' energy: -105.015 flat angles C4'-P-C4' energy: -141.521 flat angles P-C4'-P energy: -83.406 tors. eta vs tors. theta energy: -158.336 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: 10 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1766.469923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.469923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.469923 (E_RNA) where: Base-Base interactions energy: -1211.254 where: short stacking energy: -504.336 Base-Backbone interact. energy: -2.339 local terms energy: -552.876755 where: bonds (distance) C4'-P energy: -101.725 bonds (distance) P-C4' energy: -120.433 flat angles C4'-P-C4' energy: -119.544 flat angles P-C4'-P energy: -77.782 tors. eta vs tors. theta energy: -133.392 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: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1671.751615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.751615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.751615 (E_RNA) where: Base-Base interactions energy: -1124.647 where: short stacking energy: -464.842 Base-Backbone interact. energy: 4.515 local terms energy: -551.619893 where: bonds (distance) C4'-P energy: -113.732 bonds (distance) P-C4' energy: -123.800 flat angles C4'-P-C4' energy: -127.573 flat angles P-C4'-P energy: -86.937 tors. eta vs tors. theta energy: -99.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1418.812502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.812502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.812502 (E_RNA) where: Base-Base interactions energy: -951.286 where: short stacking energy: -399.116 Base-Backbone interact. energy: 3.896 local terms energy: -471.422108 where: bonds (distance) C4'-P energy: -112.801 bonds (distance) P-C4' energy: -108.753 flat angles C4'-P-C4' energy: -124.161 flat angles P-C4'-P energy: -45.046 tors. eta vs tors. theta energy: -80.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1099.246015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.246015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.246015 (E_RNA) where: Base-Base interactions energy: -694.179 where: short stacking energy: -307.108 Base-Backbone interact. energy: -0.043 local terms energy: -405.023673 where: bonds (distance) C4'-P energy: -92.594 bonds (distance) P-C4' energy: -119.112 flat angles C4'-P-C4' energy: -97.149 flat angles P-C4'-P energy: -63.796 tors. eta vs tors. theta energy: -32.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2497.929414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.929414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.929414 (E_RNA) where: Base-Base interactions energy: -1743.659 where: short stacking energy: -745.006 Base-Backbone interact. energy: -2.172 local terms energy: -752.098591 where: bonds (distance) C4'-P energy: -121.874 bonds (distance) P-C4' energy: -145.557 flat angles C4'-P-C4' energy: -159.282 flat angles P-C4'-P energy: -102.647 tors. eta vs tors. theta energy: -222.738 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: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2401.595321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.595321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.595321 (E_RNA) where: Base-Base interactions energy: -1667.009 where: short stacking energy: -718.353 Base-Backbone interact. energy: -5.528 local terms energy: -729.058244 where: bonds (distance) C4'-P energy: -120.530 bonds (distance) P-C4' energy: -139.237 flat angles C4'-P-C4' energy: -159.235 flat angles P-C4'-P energy: -100.520 tors. eta vs tors. theta energy: -209.536 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: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2352.366610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.366610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.366610 (E_RNA) where: Base-Base interactions energy: -1618.793 where: short stacking energy: -674.893 Base-Backbone interact. energy: -0.919 local terms energy: -732.654355 where: bonds (distance) C4'-P energy: -130.620 bonds (distance) P-C4' energy: -152.073 flat angles C4'-P-C4' energy: -154.432 flat angles P-C4'-P energy: -94.423 tors. eta vs tors. theta energy: -201.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2266.682370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.682370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.682370 (E_RNA) where: Base-Base interactions energy: -1588.802 where: short stacking energy: -671.852 Base-Backbone interact. energy: -2.007 local terms energy: -675.873970 where: bonds (distance) C4'-P energy: -121.395 bonds (distance) P-C4' energy: -121.247 flat angles C4'-P-C4' energy: -145.224 flat angles P-C4'-P energy: -96.942 tors. eta vs tors. theta energy: -191.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2208.606385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.606385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.606385 (E_RNA) where: Base-Base interactions energy: -1556.564 where: short stacking energy: -677.704 Base-Backbone interact. energy: -3.556 local terms energy: -648.486523 where: bonds (distance) C4'-P energy: -118.626 bonds (distance) P-C4' energy: -115.393 flat angles C4'-P-C4' energy: -140.589 flat angles P-C4'-P energy: -78.380 tors. eta vs tors. theta energy: -195.499 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: 6, replica: 1 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1937.434712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.434712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.434712 (E_RNA) where: Base-Base interactions energy: -1344.920 where: short stacking energy: -559.036 Base-Backbone interact. energy: -4.646 local terms energy: -587.868647 where: bonds (distance) C4'-P energy: -101.503 bonds (distance) P-C4' energy: -113.882 flat angles C4'-P-C4' energy: -132.408 flat angles P-C4'-P energy: -72.717 tors. eta vs tors. theta energy: -167.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1753.645635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.645635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.645635 (E_RNA) where: Base-Base interactions energy: -1195.505 where: short stacking energy: -514.474 Base-Backbone interact. energy: 5.787 local terms energy: -563.927206 where: bonds (distance) C4'-P energy: -109.846 bonds (distance) P-C4' energy: -112.612 flat angles C4'-P-C4' energy: -127.454 flat angles P-C4'-P energy: -70.879 tors. eta vs tors. theta energy: -143.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1674.402948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.402948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.402948 (E_RNA) where: Base-Base interactions energy: -1151.800 where: short stacking energy: -485.398 Base-Backbone interact. energy: 1.431 local terms energy: -524.033668 where: bonds (distance) C4'-P energy: -115.658 bonds (distance) P-C4' energy: -111.644 flat angles C4'-P-C4' energy: -125.059 flat angles P-C4'-P energy: -72.355 tors. eta vs tors. theta energy: -99.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1452.551767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.551767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.551767 (E_RNA) where: Base-Base interactions energy: -950.676 where: short stacking energy: -421.424 Base-Backbone interact. energy: -0.308 local terms energy: -501.567408 where: bonds (distance) C4'-P energy: -108.607 bonds (distance) P-C4' energy: -119.726 flat angles C4'-P-C4' energy: -103.539 flat angles P-C4'-P energy: -74.772 tors. eta vs tors. theta energy: -94.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1115.903087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.903087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.903087 (E_RNA) where: Base-Base interactions energy: -691.776 where: short stacking energy: -328.075 Base-Backbone interact. energy: 2.926 local terms energy: -427.052462 where: bonds (distance) C4'-P energy: -109.291 bonds (distance) P-C4' energy: -112.176 flat angles C4'-P-C4' energy: -93.570 flat angles P-C4'-P energy: -68.711 tors. eta vs tors. theta energy: -43.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2465.010130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.010130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.010130 (E_RNA) where: Base-Base interactions energy: -1720.705 where: short stacking energy: -714.281 Base-Backbone interact. energy: -1.503 local terms energy: -742.802384 where: bonds (distance) C4'-P energy: -114.702 bonds (distance) P-C4' energy: -130.925 flat angles C4'-P-C4' energy: -156.634 flat angles P-C4'-P energy: -113.977 tors. eta vs tors. theta energy: -226.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2380.701758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.701758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.701758 (E_RNA) where: Base-Base interactions energy: -1652.778 where: short stacking energy: -676.931 Base-Backbone interact. energy: -1.453 local terms energy: -726.470850 where: bonds (distance) C4'-P energy: -123.768 bonds (distance) P-C4' energy: -138.412 flat angles C4'-P-C4' energy: -161.867 flat angles P-C4'-P energy: -99.906 tors. eta vs tors. theta energy: -202.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2354.232126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.232126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.232126 (E_RNA) where: Base-Base interactions energy: -1644.013 where: short stacking energy: -693.848 Base-Backbone interact. energy: -0.770 local terms energy: -709.449204 where: bonds (distance) C4'-P energy: -134.758 bonds (distance) P-C4' energy: -121.526 flat angles C4'-P-C4' energy: -146.965 flat angles P-C4'-P energy: -99.733 tors. eta vs tors. theta energy: -206.468 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: 70 Temperature: 1.050000 Total energy: -2225.676860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.676860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.676860 (E_RNA) where: Base-Base interactions energy: -1549.283 where: short stacking energy: -667.884 Base-Backbone interact. energy: -0.309 local terms energy: -676.085752 where: bonds (distance) C4'-P energy: -127.966 bonds (distance) P-C4' energy: -108.549 flat angles C4'-P-C4' energy: -139.861 flat angles P-C4'-P energy: -105.453 tors. eta vs tors. theta energy: -194.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2153.148270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.148270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.148270 (E_RNA) where: Base-Base interactions energy: -1506.119 where: short stacking energy: -625.998 Base-Backbone interact. energy: 0.012 local terms energy: -647.040773 where: bonds (distance) C4'-P energy: -119.182 bonds (distance) P-C4' energy: -127.370 flat angles C4'-P-C4' energy: -130.695 flat angles P-C4'-P energy: -79.275 tors. eta vs tors. theta energy: -190.519 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: 70 Temperature: 1.150000 Total energy: -1963.344116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.344116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.344116 (E_RNA) where: Base-Base interactions energy: -1372.148 where: short stacking energy: -599.449 Base-Backbone interact. energy: -3.428 local terms energy: -587.767557 where: bonds (distance) C4'-P energy: -105.668 bonds (distance) P-C4' energy: -118.685 flat angles C4'-P-C4' energy: -120.708 flat angles P-C4'-P energy: -99.554 tors. eta vs tors. theta energy: -143.153 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: 7, replica: 10 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1689.150286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.150286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.150286 (E_RNA) where: Base-Base interactions energy: -1106.089 where: short stacking energy: -508.740 Base-Backbone interact. energy: -1.619 local terms energy: -581.442340 where: bonds (distance) C4'-P energy: -112.562 bonds (distance) P-C4' energy: -109.448 flat angles C4'-P-C4' energy: -132.199 flat angles P-C4'-P energy: -91.460 tors. eta vs tors. theta energy: -135.774 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: 9 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1759.618944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.618944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.618944 (E_RNA) where: Base-Base interactions energy: -1204.658 where: short stacking energy: -490.487 Base-Backbone interact. energy: -0.517 local terms energy: -554.443998 where: bonds (distance) C4'-P energy: -106.015 bonds (distance) P-C4' energy: -114.461 flat angles C4'-P-C4' energy: -131.192 flat angles P-C4'-P energy: -68.158 tors. eta vs tors. theta energy: -134.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1432.839010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.839010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.839010 (E_RNA) where: Base-Base interactions energy: -936.829 where: short stacking energy: -425.223 Base-Backbone interact. energy: 2.770 local terms energy: -498.780010 where: bonds (distance) C4'-P energy: -105.879 bonds (distance) P-C4' energy: -106.235 flat angles C4'-P-C4' energy: -116.443 flat angles P-C4'-P energy: -81.369 tors. eta vs tors. theta energy: -88.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1106.024837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.024837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.024837 (E_RNA) where: Base-Base interactions energy: -674.421 where: short stacking energy: -321.146 Base-Backbone interact. energy: 1.111 local terms energy: -432.714488 where: bonds (distance) C4'-P energy: -103.649 bonds (distance) P-C4' energy: -127.619 flat angles C4'-P-C4' energy: -117.040 flat angles P-C4'-P energy: -57.566 tors. eta vs tors. theta energy: -26.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2439.336437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.336437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.336437 (E_RNA) where: Base-Base interactions energy: -1679.453 where: short stacking energy: -706.909 Base-Backbone interact. energy: -2.325 local terms energy: -757.558187 where: bonds (distance) C4'-P energy: -142.116 bonds (distance) P-C4' energy: -143.416 flat angles C4'-P-C4' energy: -163.897 flat angles P-C4'-P energy: -97.066 tors. eta vs tors. theta energy: -211.063 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: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2396.848837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.848837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.848837 (E_RNA) where: Base-Base interactions energy: -1670.093 where: short stacking energy: -719.117 Base-Backbone interact. energy: -0.583 local terms energy: -726.172638 where: bonds (distance) C4'-P energy: -122.489 bonds (distance) P-C4' energy: -135.121 flat angles C4'-P-C4' energy: -151.868 flat angles P-C4'-P energy: -111.328 tors. eta vs tors. theta energy: -205.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2391.861675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.861675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.861675 (E_RNA) where: Base-Base interactions energy: -1655.360 where: short stacking energy: -711.566 Base-Backbone interact. energy: -4.062 local terms energy: -732.439543 where: bonds (distance) C4'-P energy: -133.493 bonds (distance) P-C4' energy: -128.712 flat angles C4'-P-C4' energy: -157.237 flat angles P-C4'-P energy: -106.321 tors. eta vs tors. theta energy: -206.677 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: 7 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2250.029865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.029865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.029865 (E_RNA) where: Base-Base interactions energy: -1585.091 where: short stacking energy: -675.477 Base-Backbone interact. energy: -1.853 local terms energy: -663.086138 where: bonds (distance) C4'-P energy: -106.806 bonds (distance) P-C4' energy: -127.116 flat angles C4'-P-C4' energy: -136.176 flat angles P-C4'-P energy: -96.379 tors. eta vs tors. theta energy: -196.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2147.806034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.806034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.806034 (E_RNA) where: Base-Base interactions energy: -1480.507 where: short stacking energy: -615.113 Base-Backbone interact. energy: -4.322 local terms energy: -662.976627 where: bonds (distance) C4'-P energy: -122.007 bonds (distance) P-C4' energy: -131.781 flat angles C4'-P-C4' energy: -144.496 flat angles P-C4'-P energy: -84.724 tors. eta vs tors. theta energy: -179.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1931.984163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.984163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.984163 (E_RNA) where: Base-Base interactions energy: -1319.706 where: short stacking energy: -587.793 Base-Backbone interact. energy: -1.574 local terms energy: -610.704275 where: bonds (distance) C4'-P energy: -110.611 bonds (distance) P-C4' energy: -124.598 flat angles C4'-P-C4' energy: -124.950 flat angles P-C4'-P energy: -75.553 tors. eta vs tors. theta energy: -174.992 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: 10 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1663.602490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.602490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.602490 (E_RNA) where: Base-Base interactions energy: -1091.974 where: short stacking energy: -517.371 Base-Backbone interact. energy: -0.211 local terms energy: -571.418361 where: bonds (distance) C4'-P energy: -112.261 bonds (distance) P-C4' energy: -118.295 flat angles C4'-P-C4' energy: -126.778 flat angles P-C4'-P energy: -87.834 tors. eta vs tors. theta energy: -126.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1778.178246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.178246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.178246 (E_RNA) where: Base-Base interactions energy: -1237.798 where: short stacking energy: -502.742 Base-Backbone interact. energy: -1.888 local terms energy: -538.492304 where: bonds (distance) C4'-P energy: -93.067 bonds (distance) P-C4' energy: -108.508 flat angles C4'-P-C4' energy: -118.638 flat angles P-C4'-P energy: -76.904 tors. eta vs tors. theta energy: -141.376 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: 4 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1364.543477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.543477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.543477 (E_RNA) where: Base-Base interactions energy: -888.406 where: short stacking energy: -386.259 Base-Backbone interact. energy: -0.506 local terms energy: -475.631654 where: bonds (distance) C4'-P energy: -100.941 bonds (distance) P-C4' energy: -115.950 flat angles C4'-P-C4' energy: -117.872 flat angles P-C4'-P energy: -70.601 tors. eta vs tors. theta energy: -70.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1081.718881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.718881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.718881 (E_RNA) where: Base-Base interactions energy: -691.261 where: short stacking energy: -302.034 Base-Backbone interact. energy: -3.999 local terms energy: -386.458587 where: bonds (distance) C4'-P energy: -102.543 bonds (distance) P-C4' energy: -101.424 flat angles C4'-P-C4' energy: -89.447 flat angles P-C4'-P energy: -57.197 tors. eta vs tors. theta energy: -35.848 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: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2473.608643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.608643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.608643 (E_RNA) where: Base-Base interactions energy: -1701.709 where: short stacking energy: -737.657 Base-Backbone interact. energy: -6.467 local terms energy: -765.433453 where: bonds (distance) C4'-P energy: -142.495 bonds (distance) P-C4' energy: -128.784 flat angles C4'-P-C4' energy: -162.819 flat angles P-C4'-P energy: -112.115 tors. eta vs tors. theta energy: -219.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2375.425101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.425101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.425101 (E_RNA) where: Base-Base interactions energy: -1673.245 where: short stacking energy: -699.402 Base-Backbone interact. energy: 0.477 local terms energy: -702.658056 where: bonds (distance) C4'-P energy: -124.865 bonds (distance) P-C4' energy: -127.983 flat angles C4'-P-C4' energy: -156.865 flat angles P-C4'-P energy: -90.366 tors. eta vs tors. theta energy: -202.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2356.502777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.502777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.502777 (E_RNA) where: Base-Base interactions energy: -1663.160 where: short stacking energy: -688.048 Base-Backbone interact. energy: 5.891 local terms energy: -699.233411 where: bonds (distance) C4'-P energy: -116.513 bonds (distance) P-C4' energy: -128.778 flat angles C4'-P-C4' energy: -148.850 flat angles P-C4'-P energy: -106.308 tors. eta vs tors. theta energy: -198.784 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: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2240.742300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.742300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.742300 (E_RNA) where: Base-Base interactions energy: -1577.944 where: short stacking energy: -637.905 Base-Backbone interact. energy: -2.329 local terms energy: -660.469308 where: bonds (distance) C4'-P energy: -124.257 bonds (distance) P-C4' energy: -112.514 flat angles C4'-P-C4' energy: -138.979 flat angles P-C4'-P energy: -91.629 tors. eta vs tors. theta energy: -193.091 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: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2137.936064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.936064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.936064 (E_RNA) where: Base-Base interactions energy: -1514.188 where: short stacking energy: -627.743 Base-Backbone interact. energy: -2.001 local terms energy: -621.747631 where: bonds (distance) C4'-P energy: -98.735 bonds (distance) P-C4' energy: -114.038 flat angles C4'-P-C4' energy: -136.864 flat angles P-C4'-P energy: -95.617 tors. eta vs tors. theta energy: -176.494 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: 72 Temperature: 1.150000 Total energy: -1867.996098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.996098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.996098 (E_RNA) where: Base-Base interactions energy: -1281.096 where: short stacking energy: -566.446 Base-Backbone interact. energy: -2.844 local terms energy: -584.055709 where: bonds (distance) C4'-P energy: -127.081 bonds (distance) P-C4' energy: -85.985 flat angles C4'-P-C4' energy: -127.205 flat angles P-C4'-P energy: -81.220 tors. eta vs tors. theta energy: -162.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1790.074545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.074545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.074545 (E_RNA) where: Base-Base interactions energy: -1243.235 where: short stacking energy: -506.852 Base-Backbone interact. energy: -1.814 local terms energy: -545.025233 where: bonds (distance) C4'-P energy: -95.724 bonds (distance) P-C4' energy: -117.512 flat angles C4'-P-C4' energy: -128.197 flat angles P-C4'-P energy: -65.194 tors. eta vs tors. theta energy: -138.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1584.396695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.396695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.396695 (E_RNA) where: Base-Base interactions energy: -1037.403 where: short stacking energy: -459.529 Base-Backbone interact. energy: -2.232 local terms energy: -544.761973 where: bonds (distance) C4'-P energy: -110.700 bonds (distance) P-C4' energy: -103.269 flat angles C4'-P-C4' energy: -126.704 flat angles P-C4'-P energy: -88.874 tors. eta vs tors. theta energy: -115.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1408.611615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.611615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.611615 (E_RNA) where: Base-Base interactions energy: -920.246 where: short stacking energy: -409.996 Base-Backbone interact. energy: -2.690 local terms energy: -485.675198 where: bonds (distance) C4'-P energy: -109.210 bonds (distance) P-C4' energy: -108.858 flat angles C4'-P-C4' energy: -101.575 flat angles P-C4'-P energy: -81.602 tors. eta vs tors. theta energy: -84.430 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: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1036.926352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.926352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.926352 (E_RNA) where: Base-Base interactions energy: -625.411 where: short stacking energy: -299.746 Base-Backbone interact. energy: -0.508 local terms energy: -411.007207 where: bonds (distance) C4'-P energy: -101.810 bonds (distance) P-C4' energy: -96.499 flat angles C4'-P-C4' energy: -107.289 flat angles P-C4'-P energy: -56.338 tors. eta vs tors. theta energy: -49.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2453.588819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.588819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.588819 (E_RNA) where: Base-Base interactions energy: -1726.032 where: short stacking energy: -724.512 Base-Backbone interact. energy: -3.853 local terms energy: -723.703082 where: bonds (distance) C4'-P energy: -124.628 bonds (distance) P-C4' energy: -128.001 flat angles C4'-P-C4' energy: -151.076 flat angles P-C4'-P energy: -109.679 tors. eta vs tors. theta energy: -210.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2381.400997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.400997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.400997 (E_RNA) where: Base-Base interactions energy: -1660.072 where: short stacking energy: -729.669 Base-Backbone interact. energy: -2.845 local terms energy: -718.483702 where: bonds (distance) C4'-P energy: -115.944 bonds (distance) P-C4' energy: -121.140 flat angles C4'-P-C4' energy: -160.028 flat angles P-C4'-P energy: -102.939 tors. eta vs tors. theta energy: -218.432 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: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2279.796098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.796098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.796098 (E_RNA) where: Base-Base interactions energy: -1577.897 where: short stacking energy: -638.352 Base-Backbone interact. energy: -3.559 local terms energy: -698.340500 where: bonds (distance) C4'-P energy: -133.729 bonds (distance) P-C4' energy: -132.082 flat angles C4'-P-C4' energy: -149.325 flat angles P-C4'-P energy: -84.425 tors. eta vs tors. theta energy: -198.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2232.538795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.538795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.538795 (E_RNA) where: Base-Base interactions energy: -1563.747 where: short stacking energy: -650.205 Base-Backbone interact. energy: -2.361 local terms energy: -666.430779 where: bonds (distance) C4'-P energy: -117.141 bonds (distance) P-C4' energy: -113.284 flat angles C4'-P-C4' energy: -138.031 flat angles P-C4'-P energy: -93.919 tors. eta vs tors. theta energy: -204.057 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: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2132.085767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.085767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.085767 (E_RNA) where: Base-Base interactions energy: -1474.168 where: short stacking energy: -621.130 Base-Backbone interact. energy: 0.518 local terms energy: -658.435273 where: bonds (distance) C4'-P energy: -115.823 bonds (distance) P-C4' energy: -132.713 flat angles C4'-P-C4' energy: -144.448 flat angles P-C4'-P energy: -86.895 tors. eta vs tors. theta energy: -178.556 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: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1878.790516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.790516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.790516 (E_RNA) where: Base-Base interactions energy: -1261.492 where: short stacking energy: -544.741 Base-Backbone interact. energy: -0.919 local terms energy: -616.379622 where: bonds (distance) C4'-P energy: -122.080 bonds (distance) P-C4' energy: -128.143 flat angles C4'-P-C4' energy: -134.088 flat angles P-C4'-P energy: -98.480 tors. eta vs tors. theta energy: -133.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1822.042250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.042250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.042250 (E_RNA) where: Base-Base interactions energy: -1248.354 where: short stacking energy: -502.065 Base-Backbone interact. energy: 5.209 local terms energy: -578.897383 where: bonds (distance) C4'-P energy: -107.878 bonds (distance) P-C4' energy: -121.928 flat angles C4'-P-C4' energy: -123.440 flat angles P-C4'-P energy: -91.944 tors. eta vs tors. theta energy: -133.707 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: 10 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1595.165461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.165461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.165461 (E_RNA) where: Base-Base interactions energy: -1061.587 where: short stacking energy: -449.479 Base-Backbone interact. energy: -4.511 local terms energy: -529.066821 where: bonds (distance) C4'-P energy: -111.421 bonds (distance) P-C4' energy: -95.386 flat angles C4'-P-C4' energy: -136.170 flat angles P-C4'-P energy: -73.893 tors. eta vs tors. theta energy: -112.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1354.137734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.137734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.137734 (E_RNA) where: Base-Base interactions energy: -923.977 where: short stacking energy: -394.924 Base-Backbone interact. energy: -4.039 local terms energy: -426.120937 where: bonds (distance) C4'-P energy: -92.852 bonds (distance) P-C4' energy: -98.341 flat angles C4'-P-C4' energy: -105.700 flat angles P-C4'-P energy: -64.196 tors. eta vs tors. theta energy: -65.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -943.305720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.305720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.305720 (E_RNA) where: Base-Base interactions energy: -594.283 where: short stacking energy: -284.400 Base-Backbone interact. energy: -2.750 local terms energy: -346.272418 where: bonds (distance) C4'-P energy: -86.532 bonds (distance) P-C4' energy: -107.167 flat angles C4'-P-C4' energy: -100.025 flat angles P-C4'-P energy: -36.703 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: 1, replica: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2454.580295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.580295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.580295 (E_RNA) where: Base-Base interactions energy: -1723.689 where: short stacking energy: -701.297 Base-Backbone interact. energy: -2.903 local terms energy: -727.989020 where: bonds (distance) C4'-P energy: -133.272 bonds (distance) P-C4' energy: -135.734 flat angles C4'-P-C4' energy: -144.558 flat angles P-C4'-P energy: -98.359 tors. eta vs tors. theta energy: -216.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2385.097698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.097698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.097698 (E_RNA) where: Base-Base interactions energy: -1649.170 where: short stacking energy: -699.665 Base-Backbone interact. energy: -0.401 local terms energy: -735.526747 where: bonds (distance) C4'-P energy: -130.281 bonds (distance) P-C4' energy: -139.277 flat angles C4'-P-C4' energy: -151.915 flat angles P-C4'-P energy: -105.997 tors. eta vs tors. theta energy: -208.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2302.943096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.943096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.943096 (E_RNA) where: Base-Base interactions energy: -1652.282 where: short stacking energy: -688.697 Base-Backbone interact. energy: -0.473 local terms energy: -650.188273 where: bonds (distance) C4'-P energy: -110.989 bonds (distance) P-C4' energy: -112.237 flat angles C4'-P-C4' energy: -145.972 flat angles P-C4'-P energy: -87.796 tors. eta vs tors. theta energy: -193.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2262.923340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.923340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.923340 (E_RNA) where: Base-Base interactions energy: -1600.913 where: short stacking energy: -671.549 Base-Backbone interact. energy: -4.920 local terms energy: -657.090280 where: bonds (distance) C4'-P energy: -105.448 bonds (distance) P-C4' energy: -112.807 flat angles C4'-P-C4' energy: -147.430 flat angles P-C4'-P energy: -102.679 tors. eta vs tors. theta energy: -188.726 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: 6 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2126.796976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.796976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.796976 (E_RNA) where: Base-Base interactions energy: -1495.050 where: short stacking energy: -626.556 Base-Backbone interact. energy: -2.110 local terms energy: -629.637660 where: bonds (distance) C4'-P energy: -117.957 bonds (distance) P-C4' energy: -127.128 flat angles C4'-P-C4' energy: -118.696 flat angles P-C4'-P energy: -89.882 tors. eta vs tors. theta energy: -175.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1871.649643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.649643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.649643 (E_RNA) where: Base-Base interactions energy: -1284.035 where: short stacking energy: -543.152 Base-Backbone interact. energy: -2.779 local terms energy: -584.836477 where: bonds (distance) C4'-P energy: -119.179 bonds (distance) P-C4' energy: -124.203 flat angles C4'-P-C4' energy: -128.010 flat angles P-C4'-P energy: -78.281 tors. eta vs tors. theta energy: -135.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1863.724134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.724134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.724134 (E_RNA) where: Base-Base interactions energy: -1286.760 where: short stacking energy: -541.977 Base-Backbone interact. energy: 0.542 local terms energy: -577.506265 where: bonds (distance) C4'-P energy: -114.451 bonds (distance) P-C4' energy: -118.866 flat angles C4'-P-C4' energy: -126.184 flat angles P-C4'-P energy: -61.856 tors. eta vs tors. theta energy: -156.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1564.056995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.056995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.056995 (E_RNA) where: Base-Base interactions energy: -1059.587 where: short stacking energy: -467.467 Base-Backbone interact. energy: -2.632 local terms energy: -501.838027 where: bonds (distance) C4'-P energy: -110.304 bonds (distance) P-C4' energy: -106.842 flat angles C4'-P-C4' energy: -123.291 flat angles P-C4'-P energy: -61.918 tors. eta vs tors. theta energy: -99.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1341.033617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.033617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.033617 (E_RNA) where: Base-Base interactions energy: -868.949 where: short stacking energy: -390.109 Base-Backbone interact. energy: 0.540 local terms energy: -472.624386 where: bonds (distance) C4'-P energy: -111.643 bonds (distance) P-C4' energy: -91.590 flat angles C4'-P-C4' energy: -109.381 flat angles P-C4'-P energy: -69.157 tors. eta vs tors. theta energy: -90.853 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: 74 Temperature: 1.350000 Total energy: -1043.286755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.286755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.286755 (E_RNA) where: Base-Base interactions energy: -624.795 where: short stacking energy: -309.411 Base-Backbone interact. energy: -1.326 local terms energy: -417.166003 where: bonds (distance) C4'-P energy: -98.254 bonds (distance) P-C4' energy: -114.491 flat angles C4'-P-C4' energy: -96.748 flat angles P-C4'-P energy: -57.889 tors. eta vs tors. theta energy: -49.784 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: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2479.317544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.317544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.317544 (E_RNA) where: Base-Base interactions energy: -1702.274 where: short stacking energy: -739.568 Base-Backbone interact. energy: -1.964 local terms energy: -775.079155 where: bonds (distance) C4'-P energy: -148.016 bonds (distance) P-C4' energy: -143.206 flat angles C4'-P-C4' energy: -154.821 flat angles P-C4'-P energy: -112.545 tors. eta vs tors. theta energy: -216.492 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: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2392.426304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.426304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.426304 (E_RNA) where: Base-Base interactions energy: -1660.298 where: short stacking energy: -694.541 Base-Backbone interact. energy: 0.735 local terms energy: -732.863549 where: bonds (distance) C4'-P energy: -126.626 bonds (distance) P-C4' energy: -147.175 flat angles C4'-P-C4' energy: -152.389 flat angles P-C4'-P energy: -100.915 tors. eta vs tors. theta energy: -205.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2323.040240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.040240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.040240 (E_RNA) where: Base-Base interactions energy: -1630.010 where: short stacking energy: -681.807 Base-Backbone interact. energy: -1.235 local terms energy: -691.795064 where: bonds (distance) C4'-P energy: -120.239 bonds (distance) P-C4' energy: -134.012 flat angles C4'-P-C4' energy: -150.502 flat angles P-C4'-P energy: -94.815 tors. eta vs tors. theta energy: -192.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2242.069076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.069076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.069076 (E_RNA) where: Base-Base interactions energy: -1559.040 where: short stacking energy: -663.148 Base-Backbone interact. energy: -3.380 local terms energy: -679.649131 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -139.444 flat angles C4'-P-C4' energy: -137.799 flat angles P-C4'-P energy: -99.545 tors. eta vs tors. theta energy: -196.959 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: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2162.075487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.075487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.075487 (E_RNA) where: Base-Base interactions energy: -1530.863 where: short stacking energy: -609.565 Base-Backbone interact. energy: -2.474 local terms energy: -628.737939 where: bonds (distance) C4'-P energy: -106.178 bonds (distance) P-C4' energy: -110.294 flat angles C4'-P-C4' energy: -151.672 flat angles P-C4'-P energy: -94.894 tors. eta vs tors. theta energy: -165.700 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: 6, replica: 9 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1990.822483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.822483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.822483 (E_RNA) where: Base-Base interactions energy: -1388.684 where: short stacking energy: -574.805 Base-Backbone interact. energy: -2.657 local terms energy: -599.481949 where: bonds (distance) C4'-P energy: -112.577 bonds (distance) P-C4' energy: -123.631 flat angles C4'-P-C4' energy: -129.621 flat angles P-C4'-P energy: -75.091 tors. eta vs tors. theta energy: -158.562 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: 7, replica: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1784.909762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.909762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.909762 (E_RNA) where: Base-Base interactions energy: -1215.718 where: short stacking energy: -524.481 Base-Backbone interact. energy: 2.809 local terms energy: -572.001037 where: bonds (distance) C4'-P energy: -106.106 bonds (distance) P-C4' energy: -118.377 flat angles C4'-P-C4' energy: -136.910 flat angles P-C4'-P energy: -77.463 tors. eta vs tors. theta energy: -133.146 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: 75 Temperature: 1.250000 Total energy: -1677.046549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.046549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.046549 (E_RNA) where: Base-Base interactions energy: -1148.649 where: short stacking energy: -482.541 Base-Backbone interact. energy: 1.793 local terms energy: -530.190557 where: bonds (distance) C4'-P energy: -101.097 bonds (distance) P-C4' energy: -111.742 flat angles C4'-P-C4' energy: -116.575 flat angles P-C4'-P energy: -85.930 tors. eta vs tors. theta energy: -114.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1363.504229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.504229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.504229 (E_RNA) where: Base-Base interactions energy: -877.016 where: short stacking energy: -403.374 Base-Backbone interact. energy: 5.083 local terms energy: -491.571339 where: bonds (distance) C4'-P energy: -89.317 bonds (distance) P-C4' energy: -133.950 flat angles C4'-P-C4' energy: -109.265 flat angles P-C4'-P energy: -76.180 tors. eta vs tors. theta energy: -82.859 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: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1057.411318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.411318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.411318 (E_RNA) where: Base-Base interactions energy: -660.797 where: short stacking energy: -301.609 Base-Backbone interact. energy: -2.520 local terms energy: -394.094240 where: bonds (distance) C4'-P energy: -105.316 bonds (distance) P-C4' energy: -94.899 flat angles C4'-P-C4' energy: -96.866 flat angles P-C4'-P energy: -51.004 tors. eta vs tors. theta energy: -46.010 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: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2457.279234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.279234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.279234 (E_RNA) where: Base-Base interactions energy: -1728.168 where: short stacking energy: -730.737 Base-Backbone interact. energy: -1.922 local terms energy: -727.189344 where: bonds (distance) C4'-P energy: -127.810 bonds (distance) P-C4' energy: -123.341 flat angles C4'-P-C4' energy: -159.029 flat angles P-C4'-P energy: -99.758 tors. eta vs tors. theta energy: -217.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2402.034030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.034030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.034030 (E_RNA) where: Base-Base interactions energy: -1711.656 where: short stacking energy: -695.958 Base-Backbone interact. energy: -2.347 local terms energy: -688.030864 where: bonds (distance) C4'-P energy: -134.650 bonds (distance) P-C4' energy: -115.264 flat angles C4'-P-C4' energy: -139.712 flat angles P-C4'-P energy: -90.609 tors. eta vs tors. theta energy: -207.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2340.859681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.859681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.859681 (E_RNA) where: Base-Base interactions energy: -1643.015 where: short stacking energy: -692.440 Base-Backbone interact. energy: -0.372 local terms energy: -697.472971 where: bonds (distance) C4'-P energy: -122.317 bonds (distance) P-C4' energy: -127.907 flat angles C4'-P-C4' energy: -152.788 flat angles P-C4'-P energy: -93.637 tors. eta vs tors. theta energy: -200.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2262.077037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.077037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.077037 (E_RNA) where: Base-Base interactions energy: -1557.913 where: short stacking energy: -639.819 Base-Backbone interact. energy: -2.538 local terms energy: -701.625748 where: bonds (distance) C4'-P energy: -111.941 bonds (distance) P-C4' energy: -139.313 flat angles C4'-P-C4' energy: -155.821 flat angles P-C4'-P energy: -98.510 tors. eta vs tors. theta energy: -196.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2150.190794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.190794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.190794 (E_RNA) where: Base-Base interactions energy: -1485.001 where: short stacking energy: -622.371 Base-Backbone interact. energy: -4.659 local terms energy: -660.530222 where: bonds (distance) C4'-P energy: -124.151 bonds (distance) P-C4' energy: -133.125 flat angles C4'-P-C4' energy: -129.733 flat angles P-C4'-P energy: -100.151 tors. eta vs tors. theta energy: -173.370 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: 9 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -2028.831870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.831870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.831870 (E_RNA) where: Base-Base interactions energy: -1418.923 where: short stacking energy: -600.218 Base-Backbone interact. energy: -1.204 local terms energy: -608.704782 where: bonds (distance) C4'-P energy: -123.160 bonds (distance) P-C4' energy: -118.621 flat angles C4'-P-C4' energy: -119.525 flat angles P-C4'-P energy: -85.033 tors. eta vs tors. theta energy: -162.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1739.282158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.282158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.282158 (E_RNA) where: Base-Base interactions energy: -1207.314 where: short stacking energy: -509.999 Base-Backbone interact. energy: -0.060 local terms energy: -531.907673 where: bonds (distance) C4'-P energy: -93.955 bonds (distance) P-C4' energy: -109.968 flat angles C4'-P-C4' energy: -121.267 flat angles P-C4'-P energy: -82.353 tors. eta vs tors. theta energy: -124.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1669.348906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.348906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.348906 (E_RNA) where: Base-Base interactions energy: -1134.478 where: short stacking energy: -495.272 Base-Backbone interact. energy: -0.491 local terms energy: -534.379581 where: bonds (distance) C4'-P energy: -106.072 bonds (distance) P-C4' energy: -114.850 flat angles C4'-P-C4' energy: -99.156 flat angles P-C4'-P energy: -85.676 tors. eta vs tors. theta energy: -128.625 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: 4 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1336.612204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.612204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.612204 (E_RNA) where: Base-Base interactions energy: -858.353 where: short stacking energy: -380.306 Base-Backbone interact. energy: 0.148 local terms energy: -478.407410 where: bonds (distance) C4'-P energy: -96.898 bonds (distance) P-C4' energy: -112.995 flat angles C4'-P-C4' energy: -109.469 flat angles P-C4'-P energy: -65.169 tors. eta vs tors. theta energy: -93.877 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: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -944.601227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.601227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.601227 (E_RNA) where: Base-Base interactions energy: -572.385 where: short stacking energy: -277.323 Base-Backbone interact. energy: -1.083 local terms energy: -371.133663 where: bonds (distance) C4'-P energy: -105.812 bonds (distance) P-C4' energy: -88.429 flat angles C4'-P-C4' energy: -97.406 flat angles P-C4'-P energy: -44.880 tors. eta vs tors. theta energy: -34.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2460.709143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.709143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.709143 (E_RNA) where: Base-Base interactions energy: -1706.187 where: short stacking energy: -729.324 Base-Backbone interact. energy: -3.784 local terms energy: -750.737526 where: bonds (distance) C4'-P energy: -125.596 bonds (distance) P-C4' energy: -137.259 flat angles C4'-P-C4' energy: -168.188 flat angles P-C4'-P energy: -99.851 tors. eta vs tors. theta energy: -219.844 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: 2, replica: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2373.271856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.271856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.271856 (E_RNA) where: Base-Base interactions energy: -1660.030 where: short stacking energy: -710.228 Base-Backbone interact. energy: -0.734 local terms energy: -712.507207 where: bonds (distance) C4'-P energy: -124.523 bonds (distance) P-C4' energy: -144.187 flat angles C4'-P-C4' energy: -147.892 flat angles P-C4'-P energy: -88.429 tors. eta vs tors. theta energy: -207.477 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: 7 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2287.370675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.370675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.370675 (E_RNA) where: Base-Base interactions energy: -1596.013 where: short stacking energy: -686.530 Base-Backbone interact. energy: -1.295 local terms energy: -690.062610 where: bonds (distance) C4'-P energy: -111.778 bonds (distance) P-C4' energy: -132.455 flat angles C4'-P-C4' energy: -144.857 flat angles P-C4'-P energy: -103.357 tors. eta vs tors. theta energy: -197.615 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: 2 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2263.042947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.042947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.042947 (E_RNA) where: Base-Base interactions energy: -1595.987 where: short stacking energy: -673.829 Base-Backbone interact. energy: -1.437 local terms energy: -665.619683 where: bonds (distance) C4'-P energy: -107.892 bonds (distance) P-C4' energy: -116.530 flat angles C4'-P-C4' energy: -146.473 flat angles P-C4'-P energy: -94.490 tors. eta vs tors. theta energy: -200.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2139.655740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.655740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.655740 (E_RNA) where: Base-Base interactions energy: -1503.850 where: short stacking energy: -629.093 Base-Backbone interact. energy: 1.979 local terms energy: -637.784138 where: bonds (distance) C4'-P energy: -104.624 bonds (distance) P-C4' energy: -124.857 flat angles C4'-P-C4' energy: -138.282 flat angles P-C4'-P energy: -95.352 tors. eta vs tors. theta energy: -174.668 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: 9 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -2079.981014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.981014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.981014 (E_RNA) where: Base-Base interactions energy: -1476.903 where: short stacking energy: -610.803 Base-Backbone interact. energy: -1.131 local terms energy: -601.946428 where: bonds (distance) C4'-P energy: -109.010 bonds (distance) P-C4' energy: -119.703 flat angles C4'-P-C4' energy: -131.690 flat angles P-C4'-P energy: -79.297 tors. eta vs tors. theta energy: -162.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1725.799956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.799956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.799956 (E_RNA) where: Base-Base interactions energy: -1172.860 where: short stacking energy: -496.602 Base-Backbone interact. energy: -1.610 local terms energy: -551.330076 where: bonds (distance) C4'-P energy: -120.903 bonds (distance) P-C4' energy: -109.083 flat angles C4'-P-C4' energy: -130.837 flat angles P-C4'-P energy: -62.521 tors. eta vs tors. theta energy: -127.985 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: 8, replica: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1700.796952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.796952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.796952 (E_RNA) where: Base-Base interactions energy: -1182.896 where: short stacking energy: -488.253 Base-Backbone interact. energy: -0.775 local terms energy: -517.126616 where: bonds (distance) C4'-P energy: -100.801 bonds (distance) P-C4' energy: -109.350 flat angles C4'-P-C4' energy: -112.019 flat angles P-C4'-P energy: -78.311 tors. eta vs tors. theta energy: -116.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1325.149278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.149278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.149278 (E_RNA) where: Base-Base interactions energy: -817.763 where: short stacking energy: -368.261 Base-Backbone interact. energy: 0.043 local terms energy: -507.429752 where: bonds (distance) C4'-P energy: -110.853 bonds (distance) P-C4' energy: -131.283 flat angles C4'-P-C4' energy: -105.190 flat angles P-C4'-P energy: -79.674 tors. eta vs tors. theta energy: -80.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -999.348209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.348209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.348209 (E_RNA) where: Base-Base interactions energy: -610.926 where: short stacking energy: -284.224 Base-Backbone interact. energy: 3.583 local terms energy: -392.004971 where: bonds (distance) C4'-P energy: -117.800 bonds (distance) P-C4' energy: -109.611 flat angles C4'-P-C4' energy: -87.963 flat angles P-C4'-P energy: -42.624 tors. eta vs tors. theta energy: -34.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2479.891660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.891660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.891660 (E_RNA) where: Base-Base interactions energy: -1697.684 where: short stacking energy: -738.692 Base-Backbone interact. energy: -1.580 local terms energy: -780.627663 where: bonds (distance) C4'-P energy: -143.289 bonds (distance) P-C4' energy: -143.105 flat angles C4'-P-C4' energy: -164.253 flat angles P-C4'-P energy: -112.541 tors. eta vs tors. theta energy: -217.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2385.978169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.978169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.978169 (E_RNA) where: Base-Base interactions energy: -1675.719 where: short stacking energy: -717.205 Base-Backbone interact. energy: 3.427 local terms energy: -713.686722 where: bonds (distance) C4'-P energy: -125.611 bonds (distance) P-C4' energy: -119.863 flat angles C4'-P-C4' energy: -155.802 flat angles P-C4'-P energy: -100.733 tors. eta vs tors. theta energy: -211.678 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: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2320.941380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.941380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.941380 (E_RNA) where: Base-Base interactions energy: -1639.277 where: short stacking energy: -672.159 Base-Backbone interact. energy: -2.794 local terms energy: -678.870772 where: bonds (distance) C4'-P energy: -121.794 bonds (distance) P-C4' energy: -122.250 flat angles C4'-P-C4' energy: -146.998 flat angles P-C4'-P energy: -89.569 tors. eta vs tors. theta energy: -198.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2232.811920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.811920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.811920 (E_RNA) where: Base-Base interactions energy: -1574.734 where: short stacking energy: -652.408 Base-Backbone interact. energy: -2.377 local terms energy: -655.701033 where: bonds (distance) C4'-P energy: -124.139 bonds (distance) P-C4' energy: -106.262 flat angles C4'-P-C4' energy: -146.370 flat angles P-C4'-P energy: -91.967 tors. eta vs tors. theta energy: -186.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2103.275563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.275563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.275563 (E_RNA) where: Base-Base interactions energy: -1475.336 where: short stacking energy: -639.264 Base-Backbone interact. energy: 4.074 local terms energy: -632.014232 where: bonds (distance) C4'-P energy: -121.348 bonds (distance) P-C4' energy: -114.968 flat angles C4'-P-C4' energy: -138.349 flat angles P-C4'-P energy: -84.337 tors. eta vs tors. theta energy: -173.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -2105.956703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.956703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.956703 (E_RNA) where: Base-Base interactions energy: -1453.186 where: short stacking energy: -604.776 Base-Backbone interact. energy: 0.494 local terms energy: -653.264277 where: bonds (distance) C4'-P energy: -118.072 bonds (distance) P-C4' energy: -113.671 flat angles C4'-P-C4' energy: -135.600 flat angles P-C4'-P energy: -116.571 tors. eta vs tors. theta energy: -169.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1889.178173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.178173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.178173 (E_RNA) where: Base-Base interactions energy: -1324.521 where: short stacking energy: -555.033 Base-Backbone interact. energy: -0.112 local terms energy: -564.544944 where: bonds (distance) C4'-P energy: -104.819 bonds (distance) P-C4' energy: -111.272 flat angles C4'-P-C4' energy: -123.803 flat angles P-C4'-P energy: -82.069 tors. eta vs tors. theta energy: -142.583 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: 8, replica: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1640.605184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.605184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.605184 (E_RNA) where: Base-Base interactions energy: -1139.162 where: short stacking energy: -466.763 Base-Backbone interact. energy: -3.178 local terms energy: -498.265637 where: bonds (distance) C4'-P energy: -91.151 bonds (distance) P-C4' energy: -94.751 flat angles C4'-P-C4' energy: -124.902 flat angles P-C4'-P energy: -66.967 tors. eta vs tors. theta energy: -120.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1338.857620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.857620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.857620 (E_RNA) where: Base-Base interactions energy: -885.973 where: short stacking energy: -384.876 Base-Backbone interact. energy: 1.227 local terms energy: -454.111887 where: bonds (distance) C4'-P energy: -103.395 bonds (distance) P-C4' energy: -112.116 flat angles C4'-P-C4' energy: -107.084 flat angles P-C4'-P energy: -58.960 tors. eta vs tors. theta energy: -72.557 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: 78 Temperature: 1.350000 Total energy: -1002.439850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.439850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.439850 (E_RNA) where: Base-Base interactions energy: -597.990 where: short stacking energy: -264.224 Base-Backbone interact. energy: -1.111 local terms energy: -403.339156 where: bonds (distance) C4'-P energy: -108.629 bonds (distance) P-C4' energy: -104.674 flat angles C4'-P-C4' energy: -98.044 flat angles P-C4'-P energy: -60.153 tors. eta vs tors. theta energy: -31.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2474.547795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.547795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.547795 (E_RNA) where: Base-Base interactions energy: -1710.280 where: short stacking energy: -750.909 Base-Backbone interact. energy: -3.777 local terms energy: -760.490429 where: bonds (distance) C4'-P energy: -134.272 bonds (distance) P-C4' energy: -131.746 flat angles C4'-P-C4' energy: -164.224 flat angles P-C4'-P energy: -104.405 tors. eta vs tors. theta energy: -225.844 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: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2369.182804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.182804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.182804 (E_RNA) where: Base-Base interactions energy: -1634.344 where: short stacking energy: -698.588 Base-Backbone interact. energy: -2.787 local terms energy: -732.051499 where: bonds (distance) C4'-P energy: -136.153 bonds (distance) P-C4' energy: -126.400 flat angles C4'-P-C4' energy: -160.009 flat angles P-C4'-P energy: -103.828 tors. eta vs tors. theta energy: -205.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2285.115842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.115842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.115842 (E_RNA) where: Base-Base interactions energy: -1615.531 where: short stacking energy: -665.241 Base-Backbone interact. energy: -0.656 local terms energy: -668.928447 where: bonds (distance) C4'-P energy: -112.779 bonds (distance) P-C4' energy: -118.920 flat angles C4'-P-C4' energy: -144.276 flat angles P-C4'-P energy: -92.578 tors. eta vs tors. theta energy: -200.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2247.756655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.756655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.756655 (E_RNA) where: Base-Base interactions energy: -1558.688 where: short stacking energy: -664.708 Base-Backbone interact. energy: -2.029 local terms energy: -687.039980 where: bonds (distance) C4'-P energy: -123.018 bonds (distance) P-C4' energy: -122.354 flat angles C4'-P-C4' energy: -144.178 flat angles P-C4'-P energy: -98.465 tors. eta vs tors. theta energy: -199.025 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: 79 Temperature: 1.100000 Total energy: -2183.986808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.986808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.986808 (E_RNA) where: Base-Base interactions energy: -1542.380 where: short stacking energy: -642.424 Base-Backbone interact. energy: 0.105 local terms energy: -641.711510 where: bonds (distance) C4'-P energy: -127.524 bonds (distance) P-C4' energy: -120.375 flat angles C4'-P-C4' energy: -119.617 flat angles P-C4'-P energy: -87.274 tors. eta vs tors. theta energy: -186.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2085.076280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.076280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.076280 (E_RNA) where: Base-Base interactions energy: -1414.536 where: short stacking energy: -604.640 Base-Backbone interact. energy: -1.436 local terms energy: -669.104189 where: bonds (distance) C4'-P energy: -140.706 bonds (distance) P-C4' energy: -109.790 flat angles C4'-P-C4' energy: -137.547 flat angles P-C4'-P energy: -101.888 tors. eta vs tors. theta energy: -179.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1929.823238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.823238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.823238 (E_RNA) where: Base-Base interactions energy: -1328.654 where: short stacking energy: -536.739 Base-Backbone interact. energy: -1.181 local terms energy: -599.988206 where: bonds (distance) C4'-P energy: -108.940 bonds (distance) P-C4' energy: -125.298 flat angles C4'-P-C4' energy: -134.287 flat angles P-C4'-P energy: -80.277 tors. eta vs tors. theta energy: -151.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1519.960625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.960625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.960625 (E_RNA) where: Base-Base interactions energy: -999.661 where: short stacking energy: -407.696 Base-Backbone interact. energy: -3.924 local terms energy: -516.375423 where: bonds (distance) C4'-P energy: -119.238 bonds (distance) P-C4' energy: -97.668 flat angles C4'-P-C4' energy: -122.787 flat angles P-C4'-P energy: -79.561 tors. eta vs tors. theta energy: -97.122 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: 9, replica: 4 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1345.276645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.276645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.276645 (E_RNA) where: Base-Base interactions energy: -881.925 where: short stacking energy: -384.374 Base-Backbone interact. energy: -1.498 local terms energy: -461.853292 where: bonds (distance) C4'-P energy: -100.714 bonds (distance) P-C4' energy: -117.440 flat angles C4'-P-C4' energy: -104.387 flat angles P-C4'-P energy: -64.929 tors. eta vs tors. theta energy: -74.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -956.288009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.288009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.288009 (E_RNA) where: Base-Base interactions energy: -556.579 where: short stacking energy: -270.689 Base-Backbone interact. energy: 3.578 local terms energy: -403.286557 where: bonds (distance) C4'-P energy: -115.298 bonds (distance) P-C4' energy: -120.969 flat angles C4'-P-C4' energy: -89.819 flat angles P-C4'-P energy: -60.065 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: 1, replica: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2462.708578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.708578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.708578 (E_RNA) where: Base-Base interactions energy: -1722.113 where: short stacking energy: -758.532 Base-Backbone interact. energy: 0.537 local terms energy: -741.132770 where: bonds (distance) C4'-P energy: -124.642 bonds (distance) P-C4' energy: -134.553 flat angles C4'-P-C4' energy: -157.725 flat angles P-C4'-P energy: -99.097 tors. eta vs tors. theta energy: -225.115 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: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2385.520292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.520292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.520292 (E_RNA) where: Base-Base interactions energy: -1667.527 where: short stacking energy: -714.919 Base-Backbone interact. energy: -3.255 local terms energy: -714.738924 where: bonds (distance) C4'-P energy: -129.760 bonds (distance) P-C4' energy: -129.947 flat angles C4'-P-C4' energy: -147.791 flat angles P-C4'-P energy: -100.153 tors. eta vs tors. theta energy: -207.088 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: 3, replica: 7 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2297.023473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.023473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.023473 (E_RNA) where: Base-Base interactions energy: -1620.142 where: short stacking energy: -672.559 Base-Backbone interact. energy: 4.561 local terms energy: -681.442399 where: bonds (distance) C4'-P energy: -118.147 bonds (distance) P-C4' energy: -122.458 flat angles C4'-P-C4' energy: -136.882 flat angles P-C4'-P energy: -101.336 tors. eta vs tors. theta energy: -202.619 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: 80 Temperature: 1.050000 Total energy: -2235.893050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.893050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.893050 (E_RNA) where: Base-Base interactions energy: -1538.735 where: short stacking energy: -641.526 Base-Backbone interact. energy: -4.956 local terms energy: -692.202159 where: bonds (distance) C4'-P energy: -110.657 bonds (distance) P-C4' energy: -132.849 flat angles C4'-P-C4' energy: -142.287 flat angles P-C4'-P energy: -107.401 tors. eta vs tors. theta energy: -199.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2198.054319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.054319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.054319 (E_RNA) where: Base-Base interactions energy: -1541.352 where: short stacking energy: -655.792 Base-Backbone interact. energy: -2.176 local terms energy: -654.526753 where: bonds (distance) C4'-P energy: -120.144 bonds (distance) P-C4' energy: -113.165 flat angles C4'-P-C4' energy: -139.214 flat angles P-C4'-P energy: -98.260 tors. eta vs tors. theta energy: -183.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -2071.733623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.733623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.733623 (E_RNA) where: Base-Base interactions energy: -1455.063 where: short stacking energy: -602.346 Base-Backbone interact. energy: -2.017 local terms energy: -614.654104 where: bonds (distance) C4'-P energy: -103.730 bonds (distance) P-C4' energy: -112.982 flat angles C4'-P-C4' energy: -146.805 flat angles P-C4'-P energy: -78.565 tors. eta vs tors. theta energy: -172.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1868.957020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.957020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.957020 (E_RNA) where: Base-Base interactions energy: -1297.688 where: short stacking energy: -543.444 Base-Backbone interact. energy: -2.184 local terms energy: -569.085385 where: bonds (distance) C4'-P energy: -100.820 bonds (distance) P-C4' energy: -128.508 flat angles C4'-P-C4' energy: -114.552 flat angles P-C4'-P energy: -81.769 tors. eta vs tors. theta energy: -143.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1565.802156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.802156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.802156 (E_RNA) where: Base-Base interactions energy: -1090.403 where: short stacking energy: -455.187 Base-Backbone interact. energy: 5.074 local terms energy: -480.473366 where: bonds (distance) C4'-P energy: -98.336 bonds (distance) P-C4' energy: -102.028 flat angles C4'-P-C4' energy: -117.064 flat angles P-C4'-P energy: -79.556 tors. eta vs tors. theta energy: -83.490 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: 4 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1307.715149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.715149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.715149 (E_RNA) where: Base-Base interactions energy: -829.502 where: short stacking energy: -365.383 Base-Backbone interact. energy: 2.277 local terms energy: -480.489350 where: bonds (distance) C4'-P energy: -105.163 bonds (distance) P-C4' energy: -114.548 flat angles C4'-P-C4' energy: -120.694 flat angles P-C4'-P energy: -60.074 tors. eta vs tors. theta energy: -80.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -923.363505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.363505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.363505 (E_RNA) where: Base-Base interactions energy: -559.885 where: short stacking energy: -268.393 Base-Backbone interact. energy: 2.327 local terms energy: -365.806369 where: bonds (distance) C4'-P energy: -98.485 bonds (distance) P-C4' energy: -103.211 flat angles C4'-P-C4' energy: -94.268 flat angles P-C4'-P energy: -62.785 tors. eta vs tors. theta energy: -7.058 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: 81 Temperature: 0.900000 Total energy: -2486.169268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.169268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.169268 (E_RNA) where: Base-Base interactions energy: -1715.757 where: short stacking energy: -743.587 Base-Backbone interact. energy: -1.323 local terms energy: -769.089688 where: bonds (distance) C4'-P energy: -144.345 bonds (distance) P-C4' energy: -139.942 flat angles C4'-P-C4' energy: -156.186 flat angles P-C4'-P energy: -102.545 tors. eta vs tors. theta energy: -226.072 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: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2436.710701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.710701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.710701 (E_RNA) where: Base-Base interactions energy: -1695.931 where: short stacking energy: -729.591 Base-Backbone interact. energy: -6.282 local terms energy: -734.497019 where: bonds (distance) C4'-P energy: -139.626 bonds (distance) P-C4' energy: -131.912 flat angles C4'-P-C4' energy: -147.243 flat angles P-C4'-P energy: -101.086 tors. eta vs tors. theta energy: -214.630 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: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2310.609245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.609245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.609245 (E_RNA) where: Base-Base interactions energy: -1620.070 where: short stacking energy: -679.903 Base-Backbone interact. energy: -3.408 local terms energy: -687.130833 where: bonds (distance) C4'-P energy: -126.859 bonds (distance) P-C4' energy: -126.527 flat angles C4'-P-C4' energy: -134.322 flat angles P-C4'-P energy: -96.462 tors. eta vs tors. theta energy: -202.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2253.910722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.910722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.910722 (E_RNA) where: Base-Base interactions energy: -1620.989 where: short stacking energy: -656.441 Base-Backbone interact. energy: -1.141 local terms energy: -631.780391 where: bonds (distance) C4'-P energy: -95.289 bonds (distance) P-C4' energy: -122.571 flat angles C4'-P-C4' energy: -137.297 flat angles P-C4'-P energy: -78.505 tors. eta vs tors. theta energy: -198.118 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: 81 Temperature: 1.100000 Total energy: -2187.424664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.424664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.424664 (E_RNA) where: Base-Base interactions energy: -1530.925 where: short stacking energy: -656.454 Base-Backbone interact. energy: -2.393 local terms energy: -654.107006 where: bonds (distance) C4'-P energy: -114.649 bonds (distance) P-C4' energy: -111.013 flat angles C4'-P-C4' energy: -152.725 flat angles P-C4'-P energy: -83.012 tors. eta vs tors. theta energy: -192.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -2145.732799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.732799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.732799 (E_RNA) where: Base-Base interactions energy: -1503.131 where: short stacking energy: -628.428 Base-Backbone interact. energy: -1.807 local terms energy: -640.793966 where: bonds (distance) C4'-P energy: -99.481 bonds (distance) P-C4' energy: -115.216 flat angles C4'-P-C4' energy: -138.691 flat angles P-C4'-P energy: -94.890 tors. eta vs tors. theta energy: -192.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1883.128839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.128839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.128839 (E_RNA) where: Base-Base interactions energy: -1341.754 where: short stacking energy: -524.919 Base-Backbone interact. energy: -3.212 local terms energy: -538.162552 where: bonds (distance) C4'-P energy: -107.412 bonds (distance) P-C4' energy: -104.177 flat angles C4'-P-C4' energy: -116.175 flat angles P-C4'-P energy: -75.366 tors. eta vs tors. theta energy: -135.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1575.720688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.720688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.720688 (E_RNA) where: Base-Base interactions energy: -1066.869 where: short stacking energy: -454.852 Base-Backbone interact. energy: 0.581 local terms energy: -509.432535 where: bonds (distance) C4'-P energy: -116.384 bonds (distance) P-C4' energy: -105.288 flat angles C4'-P-C4' energy: -100.494 flat angles P-C4'-P energy: -75.912 tors. eta vs tors. theta energy: -111.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1323.141080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.141080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.141080 (E_RNA) where: Base-Base interactions energy: -843.263 where: short stacking energy: -370.892 Base-Backbone interact. energy: -0.563 local terms energy: -479.314736 where: bonds (distance) C4'-P energy: -96.666 bonds (distance) P-C4' energy: -117.760 flat angles C4'-P-C4' energy: -124.320 flat angles P-C4'-P energy: -69.268 tors. eta vs tors. theta energy: -71.301 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: 10, replica: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -993.140575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.140575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.140575 (E_RNA) where: Base-Base interactions energy: -596.101 where: short stacking energy: -274.084 Base-Backbone interact. energy: -3.007 local terms energy: -394.033004 where: bonds (distance) C4'-P energy: -100.338 bonds (distance) P-C4' energy: -113.495 flat angles C4'-P-C4' energy: -104.280 flat angles P-C4'-P energy: -50.266 tors. eta vs tors. theta energy: -25.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2486.803302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.803302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.803302 (E_RNA) where: Base-Base interactions energy: -1728.781 where: short stacking energy: -736.007 Base-Backbone interact. energy: -2.983 local terms energy: -755.038818 where: bonds (distance) C4'-P energy: -146.306 bonds (distance) P-C4' energy: -137.236 flat angles C4'-P-C4' energy: -147.095 flat angles P-C4'-P energy: -106.120 tors. eta vs tors. theta energy: -218.281 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: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2411.865090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.865090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.865090 (E_RNA) where: Base-Base interactions energy: -1670.826 where: short stacking energy: -716.135 Base-Backbone interact. energy: -3.344 local terms energy: -737.695383 where: bonds (distance) C4'-P energy: -143.330 bonds (distance) P-C4' energy: -127.612 flat angles C4'-P-C4' energy: -153.306 flat angles P-C4'-P energy: -99.118 tors. eta vs tors. theta energy: -214.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2294.829366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.829366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.829366 (E_RNA) where: Base-Base interactions energy: -1597.648 where: short stacking energy: -658.163 Base-Backbone interact. energy: -0.287 local terms energy: -696.893611 where: bonds (distance) C4'-P energy: -126.039 bonds (distance) P-C4' energy: -125.082 flat angles C4'-P-C4' energy: -145.114 flat angles P-C4'-P energy: -106.870 tors. eta vs tors. theta energy: -193.789 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: 82 Temperature: 1.050000 Total energy: -2294.002599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.002599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.002599 (E_RNA) where: Base-Base interactions energy: -1613.885 where: short stacking energy: -643.091 Base-Backbone interact. energy: 2.849 local terms energy: -682.967133 where: bonds (distance) C4'-P energy: -117.478 bonds (distance) P-C4' energy: -124.352 flat angles C4'-P-C4' energy: -144.130 flat angles P-C4'-P energy: -100.655 tors. eta vs tors. theta energy: -196.352 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: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2146.518724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.518724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.518724 (E_RNA) where: Base-Base interactions energy: -1482.772 where: short stacking energy: -630.218 Base-Backbone interact. energy: -3.209 local terms energy: -660.538276 where: bonds (distance) C4'-P energy: -119.256 bonds (distance) P-C4' energy: -105.911 flat angles C4'-P-C4' energy: -144.008 flat angles P-C4'-P energy: -103.973 tors. eta vs tors. theta energy: -187.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -2095.294278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.294278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.294278 (E_RNA) where: Base-Base interactions energy: -1458.894 where: short stacking energy: -620.435 Base-Backbone interact. energy: -2.461 local terms energy: -633.940131 where: bonds (distance) C4'-P energy: -118.854 bonds (distance) P-C4' energy: -113.449 flat angles C4'-P-C4' energy: -123.887 flat angles P-C4'-P energy: -93.354 tors. eta vs tors. theta energy: -184.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1948.033716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.033716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.033716 (E_RNA) where: Base-Base interactions energy: -1370.022 where: short stacking energy: -548.250 Base-Backbone interact. energy: 1.736 local terms energy: -579.747686 where: bonds (distance) C4'-P energy: -103.459 bonds (distance) P-C4' energy: -109.218 flat angles C4'-P-C4' energy: -125.151 flat angles P-C4'-P energy: -84.684 tors. eta vs tors. theta energy: -157.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1599.756768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.756768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.756768 (E_RNA) where: Base-Base interactions energy: -1100.582 where: short stacking energy: -442.396 Base-Backbone interact. energy: 2.736 local terms energy: -501.911236 where: bonds (distance) C4'-P energy: -119.941 bonds (distance) P-C4' energy: -125.406 flat angles C4'-P-C4' energy: -99.806 flat angles P-C4'-P energy: -62.907 tors. eta vs tors. theta energy: -93.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1291.861175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.861175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.861175 (E_RNA) where: Base-Base interactions energy: -837.320 where: short stacking energy: -388.905 Base-Backbone interact. energy: 2.011 local terms energy: -456.551814 where: bonds (distance) C4'-P energy: -89.295 bonds (distance) P-C4' energy: -108.534 flat angles C4'-P-C4' energy: -94.373 flat angles P-C4'-P energy: -79.926 tors. eta vs tors. theta energy: -84.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -950.296472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.296472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.296472 (E_RNA) where: Base-Base interactions energy: -541.912 where: short stacking energy: -251.221 Base-Backbone interact. energy: -0.505 local terms energy: -407.879549 where: bonds (distance) C4'-P energy: -94.123 bonds (distance) P-C4' energy: -124.970 flat angles C4'-P-C4' energy: -101.340 flat angles P-C4'-P energy: -60.328 tors. eta vs tors. theta energy: -27.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2444.284187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.284187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.284187 (E_RNA) where: Base-Base interactions energy: -1701.037 where: short stacking energy: -722.547 Base-Backbone interact. energy: 1.125 local terms energy: -744.371592 where: bonds (distance) C4'-P energy: -130.215 bonds (distance) P-C4' energy: -130.136 flat angles C4'-P-C4' energy: -154.964 flat angles P-C4'-P energy: -102.629 tors. eta vs tors. theta energy: -226.428 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: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2402.372125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.372125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.372125 (E_RNA) where: Base-Base interactions energy: -1663.515 where: short stacking energy: -701.946 Base-Backbone interact. energy: -1.589 local terms energy: -737.268518 where: bonds (distance) C4'-P energy: -125.807 bonds (distance) P-C4' energy: -146.372 flat angles C4'-P-C4' energy: -157.160 flat angles P-C4'-P energy: -96.652 tors. eta vs tors. theta energy: -211.278 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: 7 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2333.038411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.038411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.038411 (E_RNA) where: Base-Base interactions energy: -1618.392 where: short stacking energy: -689.840 Base-Backbone interact. energy: -3.087 local terms energy: -711.559416 where: bonds (distance) C4'-P energy: -124.289 bonds (distance) P-C4' energy: -136.780 flat angles C4'-P-C4' energy: -144.588 flat angles P-C4'-P energy: -102.580 tors. eta vs tors. theta energy: -203.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2297.343400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.343400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.343400 (E_RNA) where: Base-Base interactions energy: -1633.956 where: short stacking energy: -678.018 Base-Backbone interact. energy: 3.094 local terms energy: -666.480910 where: bonds (distance) C4'-P energy: -106.677 bonds (distance) P-C4' energy: -117.849 flat angles C4'-P-C4' energy: -148.653 flat angles P-C4'-P energy: -97.222 tors. eta vs tors. theta energy: -196.080 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: 83 Temperature: 1.100000 Total energy: -2126.147276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.147276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.147276 (E_RNA) where: Base-Base interactions energy: -1479.632 where: short stacking energy: -631.640 Base-Backbone interact. energy: 0.467 local terms energy: -646.982119 where: bonds (distance) C4'-P energy: -114.150 bonds (distance) P-C4' energy: -121.067 flat angles C4'-P-C4' energy: -141.497 flat angles P-C4'-P energy: -91.396 tors. eta vs tors. theta energy: -178.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -2038.244586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.244586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.244586 (E_RNA) where: Base-Base interactions energy: -1456.905 where: short stacking energy: -578.244 Base-Backbone interact. energy: -0.707 local terms energy: -580.632793 where: bonds (distance) C4'-P energy: -95.742 bonds (distance) P-C4' energy: -106.786 flat angles C4'-P-C4' energy: -138.811 flat angles P-C4'-P energy: -83.455 tors. eta vs tors. theta energy: -155.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1934.814431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.814431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.814431 (E_RNA) where: Base-Base interactions energy: -1351.985 where: short stacking energy: -563.136 Base-Backbone interact. energy: 2.785 local terms energy: -585.614289 where: bonds (distance) C4'-P energy: -115.837 bonds (distance) P-C4' energy: -104.285 flat angles C4'-P-C4' energy: -129.620 flat angles P-C4'-P energy: -91.155 tors. eta vs tors. theta energy: -144.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1643.559204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.559204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.559204 (E_RNA) where: Base-Base interactions energy: -1143.589 where: short stacking energy: -477.536 Base-Backbone interact. energy: -2.493 local terms energy: -497.476791 where: bonds (distance) C4'-P energy: -101.714 bonds (distance) P-C4' energy: -85.004 flat angles C4'-P-C4' energy: -123.903 flat angles P-C4'-P energy: -61.288 tors. eta vs tors. theta energy: -125.568 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: 9, replica: 4 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1340.913622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.913622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.913622 (E_RNA) where: Base-Base interactions energy: -846.596 where: short stacking energy: -363.959 Base-Backbone interact. energy: -0.342 local terms energy: -493.975345 where: bonds (distance) C4'-P energy: -118.990 bonds (distance) P-C4' energy: -117.041 flat angles C4'-P-C4' energy: -115.027 flat angles P-C4'-P energy: -71.829 tors. eta vs tors. theta energy: -71.088 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: 83 Temperature: 1.350000 Total energy: -914.929433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.929433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.929433 (E_RNA) where: Base-Base interactions energy: -531.264 where: short stacking energy: -263.061 Base-Backbone interact. energy: 0.267 local terms energy: -383.932269 where: bonds (distance) C4'-P energy: -85.851 bonds (distance) P-C4' energy: -105.522 flat angles C4'-P-C4' energy: -102.874 flat angles P-C4'-P energy: -60.058 tors. eta vs tors. theta energy: -29.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2472.710526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.710526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.710526 (E_RNA) where: Base-Base interactions energy: -1718.445 where: short stacking energy: -732.160 Base-Backbone interact. energy: -3.578 local terms energy: -750.687165 where: bonds (distance) C4'-P energy: -131.628 bonds (distance) P-C4' energy: -132.740 flat angles C4'-P-C4' energy: -162.002 flat angles P-C4'-P energy: -98.960 tors. eta vs tors. theta energy: -225.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2395.152784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.152784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.152784 (E_RNA) where: Base-Base interactions energy: -1664.813 where: short stacking energy: -717.440 Base-Backbone interact. energy: -0.086 local terms energy: -730.252967 where: bonds (distance) C4'-P energy: -118.479 bonds (distance) P-C4' energy: -139.640 flat angles C4'-P-C4' energy: -158.988 flat angles P-C4'-P energy: -93.764 tors. eta vs tors. theta energy: -219.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2310.212028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.212028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.212028 (E_RNA) where: Base-Base interactions energy: -1611.467 where: short stacking energy: -671.890 Base-Backbone interact. energy: 0.180 local terms energy: -698.925203 where: bonds (distance) C4'-P energy: -107.415 bonds (distance) P-C4' energy: -135.698 flat angles C4'-P-C4' energy: -148.128 flat angles P-C4'-P energy: -108.617 tors. eta vs tors. theta energy: -199.066 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: 4, replica: 9 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2315.552405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.552405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.552405 (E_RNA) where: Base-Base interactions energy: -1640.974 where: short stacking energy: -676.668 Base-Backbone interact. energy: -1.332 local terms energy: -673.246000 where: bonds (distance) C4'-P energy: -113.997 bonds (distance) P-C4' energy: -121.123 flat angles C4'-P-C4' energy: -144.401 flat angles P-C4'-P energy: -92.543 tors. eta vs tors. theta energy: -201.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2130.580319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.580319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.580319 (E_RNA) where: Base-Base interactions energy: -1492.720 where: short stacking energy: -619.718 Base-Backbone interact. energy: 1.041 local terms energy: -638.901523 where: bonds (distance) C4'-P energy: -103.188 bonds (distance) P-C4' energy: -114.093 flat angles C4'-P-C4' energy: -147.860 flat angles P-C4'-P energy: -83.924 tors. eta vs tors. theta energy: -189.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2092.224519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.224519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.224519 (E_RNA) where: Base-Base interactions energy: -1423.374 where: short stacking energy: -614.033 Base-Backbone interact. energy: -2.439 local terms energy: -666.411114 where: bonds (distance) C4'-P energy: -116.844 bonds (distance) P-C4' energy: -123.689 flat angles C4'-P-C4' energy: -146.003 flat angles P-C4'-P energy: -101.857 tors. eta vs tors. theta energy: -178.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1969.183433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.183433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.183433 (E_RNA) where: Base-Base interactions energy: -1346.627 where: short stacking energy: -583.217 Base-Backbone interact. energy: -2.352 local terms energy: -620.204026 where: bonds (distance) C4'-P energy: -119.297 bonds (distance) P-C4' energy: -121.864 flat angles C4'-P-C4' energy: -125.402 flat angles P-C4'-P energy: -83.561 tors. eta vs tors. theta energy: -170.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1658.597663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.597663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.597663 (E_RNA) where: Base-Base interactions energy: -1135.697 where: short stacking energy: -472.312 Base-Backbone interact. energy: -0.555 local terms energy: -522.345661 where: bonds (distance) C4'-P energy: -97.154 bonds (distance) P-C4' energy: -122.112 flat angles C4'-P-C4' energy: -122.098 flat angles P-C4'-P energy: -62.695 tors. eta vs tors. theta energy: -118.288 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: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1282.660167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.660167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.660167 (E_RNA) where: Base-Base interactions energy: -803.136 where: short stacking energy: -371.489 Base-Backbone interact. energy: 1.715 local terms energy: -481.238805 where: bonds (distance) C4'-P energy: -112.229 bonds (distance) P-C4' energy: -119.434 flat angles C4'-P-C4' energy: -116.521 flat angles P-C4'-P energy: -72.302 tors. eta vs tors. theta energy: -60.753 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: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -951.834472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.834472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.834472 (E_RNA) where: Base-Base interactions energy: -550.467 where: short stacking energy: -247.736 Base-Backbone interact. energy: 0.314 local terms energy: -401.680781 where: bonds (distance) C4'-P energy: -90.185 bonds (distance) P-C4' energy: -122.934 flat angles C4'-P-C4' energy: -120.708 flat angles P-C4'-P energy: -40.915 tors. eta vs tors. theta energy: -26.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2454.291361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.291361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.291361 (E_RNA) where: Base-Base interactions energy: -1709.310 where: short stacking energy: -709.043 Base-Backbone interact. energy: -0.426 local terms energy: -744.556003 where: bonds (distance) C4'-P energy: -132.962 bonds (distance) P-C4' energy: -131.485 flat angles C4'-P-C4' energy: -158.511 flat angles P-C4'-P energy: -106.319 tors. eta vs tors. theta energy: -215.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2388.417276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.417276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.417276 (E_RNA) where: Base-Base interactions energy: -1646.098 where: short stacking energy: -700.268 Base-Backbone interact. energy: -0.303 local terms energy: -742.016824 where: bonds (distance) C4'-P energy: -139.148 bonds (distance) P-C4' energy: -123.230 flat angles C4'-P-C4' energy: -158.406 flat angles P-C4'-P energy: -107.179 tors. eta vs tors. theta energy: -214.054 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: 3, replica: 7 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2320.804716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.804716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.804716 (E_RNA) where: Base-Base interactions energy: -1628.276 where: short stacking energy: -655.924 Base-Backbone interact. energy: -0.453 local terms energy: -692.076317 where: bonds (distance) C4'-P energy: -125.818 bonds (distance) P-C4' energy: -122.652 flat angles C4'-P-C4' energy: -149.347 flat angles P-C4'-P energy: -105.668 tors. eta vs tors. theta energy: -188.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2344.567780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.567780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.567780 (E_RNA) where: Base-Base interactions energy: -1655.111 where: short stacking energy: -655.361 Base-Backbone interact. energy: -2.674 local terms energy: -686.783249 where: bonds (distance) C4'-P energy: -127.094 bonds (distance) P-C4' energy: -127.434 flat angles C4'-P-C4' energy: -144.294 flat angles P-C4'-P energy: -94.984 tors. eta vs tors. theta energy: -192.977 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: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2134.456472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.456472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.456472 (E_RNA) where: Base-Base interactions energy: -1479.075 where: short stacking energy: -650.059 Base-Backbone interact. energy: -3.793 local terms energy: -651.588091 where: bonds (distance) C4'-P energy: -97.877 bonds (distance) P-C4' energy: -130.633 flat angles C4'-P-C4' energy: -132.196 flat angles P-C4'-P energy: -96.958 tors. eta vs tors. theta energy: -193.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2124.851914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.851914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.851914 (E_RNA) where: Base-Base interactions energy: -1459.899 where: short stacking energy: -600.525 Base-Backbone interact. energy: -0.137 local terms energy: -664.815962 where: bonds (distance) C4'-P energy: -114.768 bonds (distance) P-C4' energy: -132.181 flat angles C4'-P-C4' energy: -142.140 flat angles P-C4'-P energy: -92.838 tors. eta vs tors. theta energy: -182.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1980.702898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.702898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.702898 (E_RNA) where: Base-Base interactions energy: -1383.922 where: short stacking energy: -577.317 Base-Backbone interact. energy: 0.616 local terms energy: -597.396709 where: bonds (distance) C4'-P energy: -100.669 bonds (distance) P-C4' energy: -123.283 flat angles C4'-P-C4' energy: -131.566 flat angles P-C4'-P energy: -85.310 tors. eta vs tors. theta energy: -156.569 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: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1690.817626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.817626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.817626 (E_RNA) where: Base-Base interactions energy: -1133.504 where: short stacking energy: -499.251 Base-Backbone interact. energy: 2.216 local terms energy: -559.529595 where: bonds (distance) C4'-P energy: -110.397 bonds (distance) P-C4' energy: -129.060 flat angles C4'-P-C4' energy: -132.903 flat angles P-C4'-P energy: -71.722 tors. eta vs tors. theta energy: -115.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1293.313969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.313969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.313969 (E_RNA) where: Base-Base interactions energy: -876.275 where: short stacking energy: -393.482 Base-Backbone interact. energy: -2.578 local terms energy: -414.460862 where: bonds (distance) C4'-P energy: -85.050 bonds (distance) P-C4' energy: -89.197 flat angles C4'-P-C4' energy: -108.806 flat angles P-C4'-P energy: -55.660 tors. eta vs tors. theta energy: -75.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -928.263677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.263677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.263677 (E_RNA) where: Base-Base interactions energy: -546.106 where: short stacking energy: -275.612 Base-Backbone interact. energy: 8.639 local terms energy: -390.797065 where: bonds (distance) C4'-P energy: -106.703 bonds (distance) P-C4' energy: -127.970 flat angles C4'-P-C4' energy: -92.957 flat angles P-C4'-P energy: -39.646 tors. eta vs tors. theta energy: -23.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2475.717050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.717050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.717050 (E_RNA) where: Base-Base interactions energy: -1724.150 where: short stacking energy: -738.848 Base-Backbone interact. energy: -1.519 local terms energy: -750.048475 where: bonds (distance) C4'-P energy: -143.953 bonds (distance) P-C4' energy: -115.691 flat angles C4'-P-C4' energy: -161.444 flat angles P-C4'-P energy: -108.569 tors. eta vs tors. theta energy: -220.392 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: 2, replica: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2385.653064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.653064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.653064 (E_RNA) where: Base-Base interactions energy: -1660.264 where: short stacking energy: -717.402 Base-Backbone interact. energy: -1.020 local terms energy: -724.369390 where: bonds (distance) C4'-P energy: -139.603 bonds (distance) P-C4' energy: -132.841 flat angles C4'-P-C4' energy: -154.271 flat angles P-C4'-P energy: -87.363 tors. eta vs tors. theta energy: -210.292 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: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2402.820963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.820963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.820963 (E_RNA) where: Base-Base interactions energy: -1699.791 where: short stacking energy: -694.774 Base-Backbone interact. energy: -0.532 local terms energy: -702.498895 where: bonds (distance) C4'-P energy: -112.652 bonds (distance) P-C4' energy: -118.050 flat angles C4'-P-C4' energy: -154.115 flat angles P-C4'-P energy: -107.532 tors. eta vs tors. theta energy: -210.150 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: 4, replica: 7 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2285.186415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.186415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.186415 (E_RNA) where: Base-Base interactions energy: -1592.354 where: short stacking energy: -671.029 Base-Backbone interact. energy: -4.374 local terms energy: -688.458183 where: bonds (distance) C4'-P energy: -134.569 bonds (distance) P-C4' energy: -132.591 flat angles C4'-P-C4' energy: -134.551 flat angles P-C4'-P energy: -93.042 tors. eta vs tors. theta energy: -193.704 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: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2126.064107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.064107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.064107 (E_RNA) where: Base-Base interactions energy: -1476.930 where: short stacking energy: -622.853 Base-Backbone interact. energy: -1.092 local terms energy: -648.042120 where: bonds (distance) C4'-P energy: -128.288 bonds (distance) P-C4' energy: -115.353 flat angles C4'-P-C4' energy: -139.321 flat angles P-C4'-P energy: -85.745 tors. eta vs tors. theta energy: -179.336 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: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -2052.126075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.126075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.126075 (E_RNA) where: Base-Base interactions energy: -1429.479 where: short stacking energy: -594.995 Base-Backbone interact. energy: 4.598 local terms energy: -627.244955 where: bonds (distance) C4'-P energy: -112.754 bonds (distance) P-C4' energy: -120.161 flat angles C4'-P-C4' energy: -143.562 flat angles P-C4'-P energy: -84.953 tors. eta vs tors. theta energy: -165.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1992.098229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.098229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.098229 (E_RNA) where: Base-Base interactions energy: -1392.444 where: short stacking energy: -568.809 Base-Backbone interact. energy: -3.177 local terms energy: -596.478013 where: bonds (distance) C4'-P energy: -111.095 bonds (distance) P-C4' energy: -101.947 flat angles C4'-P-C4' energy: -134.985 flat angles P-C4'-P energy: -82.086 tors. eta vs tors. theta energy: -166.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1683.250944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.250944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.250944 (E_RNA) where: Base-Base interactions energy: -1150.405 where: short stacking energy: -471.337 Base-Backbone interact. energy: -2.975 local terms energy: -529.870932 where: bonds (distance) C4'-P energy: -116.839 bonds (distance) P-C4' energy: -107.538 flat angles C4'-P-C4' energy: -131.461 flat angles P-C4'-P energy: -60.988 tors. eta vs tors. theta energy: -113.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1258.704966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.704966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.704966 (E_RNA) where: Base-Base interactions energy: -811.862 where: short stacking energy: -376.249 Base-Backbone interact. energy: -1.325 local terms energy: -445.517571 where: bonds (distance) C4'-P energy: -94.576 bonds (distance) P-C4' energy: -89.784 flat angles C4'-P-C4' energy: -118.771 flat angles P-C4'-P energy: -76.121 tors. eta vs tors. theta energy: -66.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1060.704602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.704602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.704602 (E_RNA) where: Base-Base interactions energy: -619.219 where: short stacking energy: -300.268 Base-Backbone interact. energy: -0.920 local terms energy: -440.566153 where: bonds (distance) C4'-P energy: -106.883 bonds (distance) P-C4' energy: -119.852 flat angles C4'-P-C4' energy: -103.804 flat angles P-C4'-P energy: -75.795 tors. eta vs tors. theta energy: -34.233 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: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2490.879315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.879315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.879315 (E_RNA) where: Base-Base interactions energy: -1715.831 where: short stacking energy: -729.007 Base-Backbone interact. energy: 0.323 local terms energy: -775.371290 where: bonds (distance) C4'-P energy: -149.071 bonds (distance) P-C4' energy: -123.799 flat angles C4'-P-C4' energy: -158.097 flat angles P-C4'-P energy: -114.622 tors. eta vs tors. theta energy: -229.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2434.033234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.033234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.033234 (E_RNA) where: Base-Base interactions energy: -1719.583 where: short stacking energy: -704.713 Base-Backbone interact. energy: -0.805 local terms energy: -713.645136 where: bonds (distance) C4'-P energy: -140.055 bonds (distance) P-C4' energy: -121.538 flat angles C4'-P-C4' energy: -152.240 flat angles P-C4'-P energy: -94.914 tors. eta vs tors. theta energy: -204.897 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: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2346.559906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.559906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.559906 (E_RNA) where: Base-Base interactions energy: -1618.499 where: short stacking energy: -674.433 Base-Backbone interact. energy: -3.766 local terms energy: -724.294244 where: bonds (distance) C4'-P energy: -138.233 bonds (distance) P-C4' energy: -129.729 flat angles C4'-P-C4' energy: -156.809 flat angles P-C4'-P energy: -96.109 tors. eta vs tors. theta energy: -203.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2257.599427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.599427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.599427 (E_RNA) where: Base-Base interactions energy: -1587.840 where: short stacking energy: -676.900 Base-Backbone interact. energy: -3.688 local terms energy: -666.071436 where: bonds (distance) C4'-P energy: -110.143 bonds (distance) P-C4' energy: -124.430 flat angles C4'-P-C4' energy: -136.151 flat angles P-C4'-P energy: -101.457 tors. eta vs tors. theta energy: -193.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2165.373601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.373601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.373601 (E_RNA) where: Base-Base interactions energy: -1513.365 where: short stacking energy: -633.872 Base-Backbone interact. energy: -3.137 local terms energy: -648.871883 where: bonds (distance) C4'-P energy: -118.863 bonds (distance) P-C4' energy: -128.981 flat angles C4'-P-C4' energy: -136.598 flat angles P-C4'-P energy: -83.303 tors. eta vs tors. theta energy: -181.128 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: 10 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2087.466696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.466696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.466696 (E_RNA) where: Base-Base interactions energy: -1439.263 where: short stacking energy: -598.435 Base-Backbone interact. energy: -1.894 local terms energy: -646.309897 where: bonds (distance) C4'-P energy: -128.465 bonds (distance) P-C4' energy: -121.035 flat angles C4'-P-C4' energy: -129.334 flat angles P-C4'-P energy: -87.602 tors. eta vs tors. theta energy: -179.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1992.450303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.450303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.450303 (E_RNA) where: Base-Base interactions energy: -1412.853 where: short stacking energy: -585.450 Base-Backbone interact. energy: 3.108 local terms energy: -582.705307 where: bonds (distance) C4'-P energy: -97.040 bonds (distance) P-C4' energy: -115.008 flat angles C4'-P-C4' energy: -124.614 flat angles P-C4'-P energy: -80.326 tors. eta vs tors. theta energy: -165.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1631.849158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.849158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.849158 (E_RNA) where: Base-Base interactions energy: -1105.622 where: short stacking energy: -453.303 Base-Backbone interact. energy: 3.196 local terms energy: -529.422936 where: bonds (distance) C4'-P energy: -95.919 bonds (distance) P-C4' energy: -117.895 flat angles C4'-P-C4' energy: -124.899 flat angles P-C4'-P energy: -82.766 tors. eta vs tors. theta energy: -107.944 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: 4 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1274.222783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.222783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.222783 (E_RNA) where: Base-Base interactions energy: -838.714 where: short stacking energy: -369.462 Base-Backbone interact. energy: 2.683 local terms energy: -438.191235 where: bonds (distance) C4'-P energy: -101.391 bonds (distance) P-C4' energy: -104.892 flat angles C4'-P-C4' energy: -101.269 flat angles P-C4'-P energy: -72.827 tors. eta vs tors. theta energy: -57.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1039.527018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.527018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.527018 (E_RNA) where: Base-Base interactions energy: -657.656 where: short stacking energy: -293.045 Base-Backbone interact. energy: 3.426 local terms energy: -385.297445 where: bonds (distance) C4'-P energy: -108.918 bonds (distance) P-C4' energy: -110.385 flat angles C4'-P-C4' energy: -90.215 flat angles P-C4'-P energy: -56.959 tors. eta vs tors. theta energy: -18.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2508.637704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.637704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.637704 (E_RNA) where: Base-Base interactions energy: -1716.603 where: short stacking energy: -759.081 Base-Backbone interact. energy: -1.722 local terms energy: -790.312972 where: bonds (distance) C4'-P energy: -136.385 bonds (distance) P-C4' energy: -148.790 flat angles C4'-P-C4' energy: -160.864 flat angles P-C4'-P energy: -112.587 tors. eta vs tors. theta energy: -231.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2438.639703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.639703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.639703 (E_RNA) where: Base-Base interactions energy: -1717.935 where: short stacking energy: -700.535 Base-Backbone interact. energy: 4.544 local terms energy: -725.249381 where: bonds (distance) C4'-P energy: -127.717 bonds (distance) P-C4' energy: -140.633 flat angles C4'-P-C4' energy: -150.859 flat angles P-C4'-P energy: -106.837 tors. eta vs tors. theta energy: -199.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2355.466543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.466543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.466543 (E_RNA) where: Base-Base interactions energy: -1640.365 where: short stacking energy: -693.152 Base-Backbone interact. energy: 1.822 local terms energy: -716.924051 where: bonds (distance) C4'-P energy: -133.431 bonds (distance) P-C4' energy: -126.489 flat angles C4'-P-C4' energy: -154.736 flat angles P-C4'-P energy: -92.371 tors. eta vs tors. theta energy: -209.897 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: 7 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2254.014788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.014788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.014788 (E_RNA) where: Base-Base interactions energy: -1585.919 where: short stacking energy: -680.909 Base-Backbone interact. energy: -2.485 local terms energy: -665.611063 where: bonds (distance) C4'-P energy: -103.950 bonds (distance) P-C4' energy: -101.021 flat angles C4'-P-C4' energy: -141.523 flat angles P-C4'-P energy: -106.312 tors. eta vs tors. theta energy: -212.805 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: 5, replica: 10 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2223.422148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.422148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.422148 (E_RNA) where: Base-Base interactions energy: -1572.719 where: short stacking energy: -651.455 Base-Backbone interact. energy: 2.956 local terms energy: -653.659489 where: bonds (distance) C4'-P energy: -110.718 bonds (distance) P-C4' energy: -118.005 flat angles C4'-P-C4' energy: -140.837 flat angles P-C4'-P energy: -90.165 tors. eta vs tors. theta energy: -193.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2020.280523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.280523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.280523 (E_RNA) where: Base-Base interactions energy: -1417.364 where: short stacking energy: -596.128 Base-Backbone interact. energy: -2.961 local terms energy: -599.956323 where: bonds (distance) C4'-P energy: -111.881 bonds (distance) P-C4' energy: -105.195 flat angles C4'-P-C4' energy: -128.149 flat angles P-C4'-P energy: -73.673 tors. eta vs tors. theta energy: -181.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1969.726461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.726461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.726461 (E_RNA) where: Base-Base interactions energy: -1399.209 where: short stacking energy: -598.690 Base-Backbone interact. energy: -0.394 local terms energy: -570.123169 where: bonds (distance) C4'-P energy: -99.317 bonds (distance) P-C4' energy: -99.966 flat angles C4'-P-C4' energy: -116.321 flat angles P-C4'-P energy: -83.204 tors. eta vs tors. theta energy: -171.315 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: 1 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1581.629754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.629754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.629754 (E_RNA) where: Base-Base interactions energy: -1070.920 where: short stacking energy: -435.485 Base-Backbone interact. energy: 3.741 local terms energy: -514.451113 where: bonds (distance) C4'-P energy: -102.085 bonds (distance) P-C4' energy: -121.613 flat angles C4'-P-C4' energy: -116.043 flat angles P-C4'-P energy: -65.825 tors. eta vs tors. theta energy: -108.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1317.892690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.892690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.892690 (E_RNA) where: Base-Base interactions energy: -837.205 where: short stacking energy: -384.423 Base-Backbone interact. energy: 9.401 local terms energy: -490.088133 where: bonds (distance) C4'-P energy: -118.703 bonds (distance) P-C4' energy: -108.220 flat angles C4'-P-C4' energy: -117.257 flat angles P-C4'-P energy: -60.226 tors. eta vs tors. theta energy: -85.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1027.471942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.471942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.471942 (E_RNA) where: Base-Base interactions energy: -593.835 where: short stacking energy: -256.022 Base-Backbone interact. energy: 4.668 local terms energy: -438.304688 where: bonds (distance) C4'-P energy: -107.434 bonds (distance) P-C4' energy: -112.129 flat angles C4'-P-C4' energy: -106.744 flat angles P-C4'-P energy: -76.431 tors. eta vs tors. theta energy: -35.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2512.684925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.684925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.684925 (E_RNA) where: Base-Base interactions energy: -1753.281 where: short stacking energy: -759.510 Base-Backbone interact. energy: -3.191 local terms energy: -756.212517 where: bonds (distance) C4'-P energy: -141.724 bonds (distance) P-C4' energy: -133.179 flat angles C4'-P-C4' energy: -154.320 flat angles P-C4'-P energy: -98.882 tors. eta vs tors. theta energy: -228.108 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: 2, replica: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2438.758241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.758241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.758241 (E_RNA) where: Base-Base interactions energy: -1711.851 where: short stacking energy: -711.209 Base-Backbone interact. energy: -3.358 local terms energy: -723.549263 where: bonds (distance) C4'-P energy: -115.278 bonds (distance) P-C4' energy: -136.633 flat angles C4'-P-C4' energy: -158.272 flat angles P-C4'-P energy: -106.794 tors. eta vs tors. theta energy: -206.572 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: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2366.183571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.183571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.183571 (E_RNA) where: Base-Base interactions energy: -1664.744 where: short stacking energy: -713.221 Base-Backbone interact. energy: -3.390 local terms energy: -698.049940 where: bonds (distance) C4'-P energy: -121.682 bonds (distance) P-C4' energy: -129.397 flat angles C4'-P-C4' energy: -151.772 flat angles P-C4'-P energy: -90.778 tors. eta vs tors. theta energy: -204.420 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: 4, replica: 10 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2300.437348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.437348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.437348 (E_RNA) where: Base-Base interactions energy: -1630.222 where: short stacking energy: -698.638 Base-Backbone interact. energy: -1.101 local terms energy: -669.115132 where: bonds (distance) C4'-P energy: -111.303 bonds (distance) P-C4' energy: -129.896 flat angles C4'-P-C4' energy: -149.407 flat angles P-C4'-P energy: -87.193 tors. eta vs tors. theta energy: -191.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2208.229131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.229131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.229131 (E_RNA) where: Base-Base interactions energy: -1521.040 where: short stacking energy: -638.732 Base-Backbone interact. energy: -2.939 local terms energy: -684.250765 where: bonds (distance) C4'-P energy: -138.383 bonds (distance) P-C4' energy: -117.411 flat angles C4'-P-C4' energy: -146.877 flat angles P-C4'-P energy: -95.362 tors. eta vs tors. theta energy: -186.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2039.322027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.322027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.322027 (E_RNA) where: Base-Base interactions energy: -1434.435 where: short stacking energy: -609.168 Base-Backbone interact. energy: 4.473 local terms energy: -609.359893 where: bonds (distance) C4'-P energy: -92.725 bonds (distance) P-C4' energy: -128.240 flat angles C4'-P-C4' energy: -142.527 flat angles P-C4'-P energy: -81.363 tors. eta vs tors. theta energy: -164.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1941.249463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.249463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.249463 (E_RNA) where: Base-Base interactions energy: -1351.769 where: short stacking energy: -566.306 Base-Backbone interact. energy: -1.446 local terms energy: -588.034036 where: bonds (distance) C4'-P energy: -98.063 bonds (distance) P-C4' energy: -112.460 flat angles C4'-P-C4' energy: -127.473 flat angles P-C4'-P energy: -83.144 tors. eta vs tors. theta energy: -166.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1574.950648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.950648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.950648 (E_RNA) where: Base-Base interactions energy: -1011.006 where: short stacking energy: -418.412 Base-Backbone interact. energy: -0.877 local terms energy: -563.068500 where: bonds (distance) C4'-P energy: -129.582 bonds (distance) P-C4' energy: -125.601 flat angles C4'-P-C4' energy: -114.865 flat angles P-C4'-P energy: -84.513 tors. eta vs tors. theta energy: -108.507 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: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1330.761580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.761580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.761580 (E_RNA) where: Base-Base interactions energy: -879.262 where: short stacking energy: -392.957 Base-Backbone interact. energy: -1.333 local terms energy: -450.166169 where: bonds (distance) C4'-P energy: -96.841 bonds (distance) P-C4' energy: -105.758 flat angles C4'-P-C4' energy: -92.907 flat angles P-C4'-P energy: -62.005 tors. eta vs tors. theta energy: -92.655 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: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -982.103220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.103220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.103220 (E_RNA) where: Base-Base interactions energy: -571.888 where: short stacking energy: -273.604 Base-Backbone interact. energy: 4.057 local terms energy: -414.272208 where: bonds (distance) C4'-P energy: -120.791 bonds (distance) P-C4' energy: -110.959 flat angles C4'-P-C4' energy: -88.603 flat angles P-C4'-P energy: -63.665 tors. eta vs tors. theta energy: -30.253 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: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2491.964274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.964274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.964274 (E_RNA) where: Base-Base interactions energy: -1729.197 where: short stacking energy: -756.659 Base-Backbone interact. energy: -3.076 local terms energy: -759.691300 where: bonds (distance) C4'-P energy: -131.948 bonds (distance) P-C4' energy: -133.486 flat angles C4'-P-C4' energy: -154.889 flat angles P-C4'-P energy: -116.152 tors. eta vs tors. theta energy: -223.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2440.935641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.935641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.935641 (E_RNA) where: Base-Base interactions energy: -1716.122 where: short stacking energy: -715.565 Base-Backbone interact. energy: -2.619 local terms energy: -722.194157 where: bonds (distance) C4'-P energy: -126.964 bonds (distance) P-C4' energy: -138.618 flat angles C4'-P-C4' energy: -145.740 flat angles P-C4'-P energy: -103.593 tors. eta vs tors. theta energy: -207.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2356.130217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.130217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.130217 (E_RNA) where: Base-Base interactions energy: -1654.356 where: short stacking energy: -712.532 Base-Backbone interact. energy: -3.255 local terms energy: -698.519361 where: bonds (distance) C4'-P energy: -112.658 bonds (distance) P-C4' energy: -137.485 flat angles C4'-P-C4' energy: -150.227 flat angles P-C4'-P energy: -86.747 tors. eta vs tors. theta energy: -211.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2281.591357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.591357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.591357 (E_RNA) where: Base-Base interactions energy: -1615.123 where: short stacking energy: -683.736 Base-Backbone interact. energy: -0.435 local terms energy: -666.033329 where: bonds (distance) C4'-P energy: -116.722 bonds (distance) P-C4' energy: -119.523 flat angles C4'-P-C4' energy: -142.595 flat angles P-C4'-P energy: -85.581 tors. eta vs tors. theta energy: -201.612 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: 5, replica: 7 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2170.547432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.547432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.547432 (E_RNA) where: Base-Base interactions energy: -1513.476 where: short stacking energy: -658.457 Base-Backbone interact. energy: -2.805 local terms energy: -654.266891 where: bonds (distance) C4'-P energy: -119.664 bonds (distance) P-C4' energy: -125.914 flat angles C4'-P-C4' energy: -132.040 flat angles P-C4'-P energy: -94.723 tors. eta vs tors. theta energy: -181.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2043.921342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.921342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.921342 (E_RNA) where: Base-Base interactions energy: -1438.887 where: short stacking energy: -596.573 Base-Backbone interact. energy: -6.364 local terms energy: -598.669939 where: bonds (distance) C4'-P energy: -104.298 bonds (distance) P-C4' energy: -107.974 flat angles C4'-P-C4' energy: -132.095 flat angles P-C4'-P energy: -79.754 tors. eta vs tors. theta energy: -174.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1745.458601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.458601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.458601 (E_RNA) where: Base-Base interactions energy: -1185.449 where: short stacking energy: -488.719 Base-Backbone interact. energy: -4.112 local terms energy: -555.897051 where: bonds (distance) C4'-P energy: -103.528 bonds (distance) P-C4' energy: -110.517 flat angles C4'-P-C4' energy: -141.692 flat angles P-C4'-P energy: -64.052 tors. eta vs tors. theta energy: -136.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1548.979617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.979617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.979617 (E_RNA) where: Base-Base interactions energy: -997.905 where: short stacking energy: -438.874 Base-Backbone interact. energy: -0.258 local terms energy: -550.816489 where: bonds (distance) C4'-P energy: -100.962 bonds (distance) P-C4' energy: -123.418 flat angles C4'-P-C4' energy: -133.739 flat angles P-C4'-P energy: -85.577 tors. eta vs tors. theta energy: -107.121 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: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1351.513616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.513616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.513616 (E_RNA) where: Base-Base interactions energy: -899.005 where: short stacking energy: -398.752 Base-Backbone interact. energy: 9.969 local terms energy: -462.477895 where: bonds (distance) C4'-P energy: -100.302 bonds (distance) P-C4' energy: -114.578 flat angles C4'-P-C4' energy: -110.453 flat angles P-C4'-P energy: -54.141 tors. eta vs tors. theta energy: -83.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -998.750892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.750892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.750892 (E_RNA) where: Base-Base interactions energy: -614.093 where: short stacking energy: -292.929 Base-Backbone interact. energy: -1.229 local terms energy: -383.428131 where: bonds (distance) C4'-P energy: -91.610 bonds (distance) P-C4' energy: -112.702 flat angles C4'-P-C4' energy: -95.279 flat angles P-C4'-P energy: -49.947 tors. eta vs tors. theta energy: -33.890 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: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2495.824751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.824751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.824751 (E_RNA) where: Base-Base interactions energy: -1740.704 where: short stacking energy: -753.424 Base-Backbone interact. energy: 0.252 local terms energy: -755.372669 where: bonds (distance) C4'-P energy: -127.694 bonds (distance) P-C4' energy: -142.897 flat angles C4'-P-C4' energy: -156.794 flat angles P-C4'-P energy: -96.914 tors. eta vs tors. theta energy: -231.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2444.664114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.664114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.664114 (E_RNA) where: Base-Base interactions energy: -1729.087 where: short stacking energy: -727.197 Base-Backbone interact. energy: -2.984 local terms energy: -712.593401 where: bonds (distance) C4'-P energy: -129.981 bonds (distance) P-C4' energy: -115.043 flat angles C4'-P-C4' energy: -144.656 flat angles P-C4'-P energy: -106.235 tors. eta vs tors. theta energy: -216.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2382.520390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.520390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.520390 (E_RNA) where: Base-Base interactions energy: -1669.668 where: short stacking energy: -709.840 Base-Backbone interact. energy: -0.560 local terms energy: -712.292434 where: bonds (distance) C4'-P energy: -121.227 bonds (distance) P-C4' energy: -125.603 flat angles C4'-P-C4' energy: -143.604 flat angles P-C4'-P energy: -104.974 tors. eta vs tors. theta energy: -216.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2296.112900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.112900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.112900 (E_RNA) where: Base-Base interactions energy: -1622.290 where: short stacking energy: -710.063 Base-Backbone interact. energy: -0.249 local terms energy: -673.573996 where: bonds (distance) C4'-P energy: -98.404 bonds (distance) P-C4' energy: -118.423 flat angles C4'-P-C4' energy: -155.318 flat angles P-C4'-P energy: -98.520 tors. eta vs tors. theta energy: -202.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2241.984522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.984522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.984522 (E_RNA) where: Base-Base interactions energy: -1571.493 where: short stacking energy: -684.024 Base-Backbone interact. energy: -1.518 local terms energy: -668.972679 where: bonds (distance) C4'-P energy: -130.542 bonds (distance) P-C4' energy: -103.842 flat angles C4'-P-C4' energy: -141.811 flat angles P-C4'-P energy: -104.724 tors. eta vs tors. theta energy: -188.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2001.524699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.524699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.524699 (E_RNA) where: Base-Base interactions energy: -1417.371 where: short stacking energy: -583.598 Base-Backbone interact. energy: -2.386 local terms energy: -581.768082 where: bonds (distance) C4'-P energy: -116.381 bonds (distance) P-C4' energy: -113.422 flat angles C4'-P-C4' energy: -113.854 flat angles P-C4'-P energy: -75.279 tors. eta vs tors. theta energy: -162.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1796.139278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.139278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.139278 (E_RNA) where: Base-Base interactions energy: -1220.552 where: short stacking energy: -525.755 Base-Backbone interact. energy: -2.305 local terms energy: -573.282592 where: bonds (distance) C4'-P energy: -108.883 bonds (distance) P-C4' energy: -118.737 flat angles C4'-P-C4' energy: -134.905 flat angles P-C4'-P energy: -78.617 tors. eta vs tors. theta energy: -132.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1583.707436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.707436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.707436 (E_RNA) where: Base-Base interactions energy: -1053.915 where: short stacking energy: -473.346 Base-Backbone interact. energy: -0.420 local terms energy: -529.372446 where: bonds (distance) C4'-P energy: -97.045 bonds (distance) P-C4' energy: -107.812 flat angles C4'-P-C4' energy: -133.820 flat angles P-C4'-P energy: -77.933 tors. eta vs tors. theta energy: -112.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1396.558177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.558177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.558177 (E_RNA) where: Base-Base interactions energy: -933.282 where: short stacking energy: -414.212 Base-Backbone interact. energy: -2.875 local terms energy: -460.401230 where: bonds (distance) C4'-P energy: -78.678 bonds (distance) P-C4' energy: -107.476 flat angles C4'-P-C4' energy: -118.084 flat angles P-C4'-P energy: -73.839 tors. eta vs tors. theta energy: -82.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1053.027293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.027293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.027293 (E_RNA) where: Base-Base interactions energy: -653.243 where: short stacking energy: -316.065 Base-Backbone interact. energy: 1.042 local terms energy: -400.826078 where: bonds (distance) C4'-P energy: -103.516 bonds (distance) P-C4' energy: -130.675 flat angles C4'-P-C4' energy: -89.858 flat angles P-C4'-P energy: -34.193 tors. eta vs tors. theta energy: -42.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2512.002418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.002418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.002418 (E_RNA) where: Base-Base interactions energy: -1758.152 where: short stacking energy: -757.778 Base-Backbone interact. energy: -1.423 local terms energy: -752.426952 where: bonds (distance) C4'-P energy: -129.797 bonds (distance) P-C4' energy: -142.527 flat angles C4'-P-C4' energy: -149.243 flat angles P-C4'-P energy: -102.311 tors. eta vs tors. theta energy: -228.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2433.765037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.765037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.765037 (E_RNA) where: Base-Base interactions energy: -1722.575 where: short stacking energy: -720.584 Base-Backbone interact. energy: -0.627 local terms energy: -710.563032 where: bonds (distance) C4'-P energy: -128.495 bonds (distance) P-C4' energy: -120.616 flat angles C4'-P-C4' energy: -148.304 flat angles P-C4'-P energy: -111.919 tors. eta vs tors. theta energy: -201.228 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: 10 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2388.363875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.363875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.363875 (E_RNA) where: Base-Base interactions energy: -1669.254 where: short stacking energy: -707.436 Base-Backbone interact. energy: -1.149 local terms energy: -717.960314 where: bonds (distance) C4'-P energy: -140.211 bonds (distance) P-C4' energy: -131.724 flat angles C4'-P-C4' energy: -145.058 flat angles P-C4'-P energy: -100.803 tors. eta vs tors. theta energy: -200.164 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: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2316.011920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.011920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.011920 (E_RNA) where: Base-Base interactions energy: -1627.184 where: short stacking energy: -696.248 Base-Backbone interact. energy: -4.637 local terms energy: -684.191677 where: bonds (distance) C4'-P energy: -110.592 bonds (distance) P-C4' energy: -124.670 flat angles C4'-P-C4' energy: -151.269 flat angles P-C4'-P energy: -91.072 tors. eta vs tors. theta energy: -206.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2193.958384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.958384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.958384 (E_RNA) where: Base-Base interactions energy: -1517.436 where: short stacking energy: -634.995 Base-Backbone interact. energy: 2.728 local terms energy: -679.250153 where: bonds (distance) C4'-P energy: -118.397 bonds (distance) P-C4' energy: -130.694 flat angles C4'-P-C4' energy: -140.389 flat angles P-C4'-P energy: -101.284 tors. eta vs tors. theta energy: -188.486 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: 92 Temperature: 1.150000 Total energy: -2025.347816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.347816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.347816 (E_RNA) where: Base-Base interactions energy: -1420.862 where: short stacking energy: -583.107 Base-Backbone interact. energy: -3.197 local terms energy: -601.288097 where: bonds (distance) C4'-P energy: -104.819 bonds (distance) P-C4' energy: -112.713 flat angles C4'-P-C4' energy: -133.831 flat angles P-C4'-P energy: -85.327 tors. eta vs tors. theta energy: -164.598 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: 2 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1779.030147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.030147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.030147 (E_RNA) where: Base-Base interactions energy: -1182.571 where: short stacking energy: -508.395 Base-Backbone interact. energy: 1.969 local terms energy: -598.427232 where: bonds (distance) C4'-P energy: -124.646 bonds (distance) P-C4' energy: -129.502 flat angles C4'-P-C4' energy: -143.180 flat angles P-C4'-P energy: -65.822 tors. eta vs tors. theta energy: -135.277 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: 92 Temperature: 1.250000 Total energy: -1630.702821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.702821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.702821 (E_RNA) where: Base-Base interactions energy: -1108.210 where: short stacking energy: -460.381 Base-Backbone interact. energy: 2.070 local terms energy: -524.562773 where: bonds (distance) C4'-P energy: -107.195 bonds (distance) P-C4' energy: -112.918 flat angles C4'-P-C4' energy: -130.311 flat angles P-C4'-P energy: -68.577 tors. eta vs tors. theta energy: -105.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1348.311199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.311199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.311199 (E_RNA) where: Base-Base interactions energy: -889.961 where: short stacking energy: -377.882 Base-Backbone interact. energy: 2.621 local terms energy: -460.971814 where: bonds (distance) C4'-P energy: -97.469 bonds (distance) P-C4' energy: -110.356 flat angles C4'-P-C4' energy: -112.526 flat angles P-C4'-P energy: -73.934 tors. eta vs tors. theta energy: -66.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1053.248422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.248422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.248422 (E_RNA) where: Base-Base interactions energy: -619.030 where: short stacking energy: -303.437 Base-Backbone interact. energy: -1.175 local terms energy: -433.043852 where: bonds (distance) C4'-P energy: -102.429 bonds (distance) P-C4' energy: -116.205 flat angles C4'-P-C4' energy: -107.010 flat angles P-C4'-P energy: -60.470 tors. eta vs tors. theta energy: -46.930 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: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2480.126352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.126352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.126352 (E_RNA) where: Base-Base interactions energy: -1723.775 where: short stacking energy: -756.235 Base-Backbone interact. energy: -3.947 local terms energy: -752.404974 where: bonds (distance) C4'-P energy: -131.152 bonds (distance) P-C4' energy: -139.800 flat angles C4'-P-C4' energy: -153.453 flat angles P-C4'-P energy: -107.650 tors. eta vs tors. theta energy: -220.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2439.165387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.165387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.165387 (E_RNA) where: Base-Base interactions energy: -1719.915 where: short stacking energy: -708.945 Base-Backbone interact. energy: 0.236 local terms energy: -719.486032 where: bonds (distance) C4'-P energy: -121.982 bonds (distance) P-C4' energy: -133.840 flat angles C4'-P-C4' energy: -153.491 flat angles P-C4'-P energy: -99.477 tors. eta vs tors. theta energy: -210.696 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: 10 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2400.365516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.365516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.365516 (E_RNA) where: Base-Base interactions energy: -1690.279 where: short stacking energy: -692.899 Base-Backbone interact. energy: -3.314 local terms energy: -706.771830 where: bonds (distance) C4'-P energy: -101.998 bonds (distance) P-C4' energy: -144.281 flat angles C4'-P-C4' energy: -149.915 flat angles P-C4'-P energy: -107.149 tors. eta vs tors. theta energy: -203.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2276.167303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.167303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.167303 (E_RNA) where: Base-Base interactions energy: -1609.286 where: short stacking energy: -687.681 Base-Backbone interact. energy: -2.312 local terms energy: -664.569001 where: bonds (distance) C4'-P energy: -102.802 bonds (distance) P-C4' energy: -113.928 flat angles C4'-P-C4' energy: -146.798 flat angles P-C4'-P energy: -99.816 tors. eta vs tors. theta energy: -201.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2179.243104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.243104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.243104 (E_RNA) where: Base-Base interactions energy: -1542.687 where: short stacking energy: -615.793 Base-Backbone interact. energy: -2.662 local terms energy: -633.893438 where: bonds (distance) C4'-P energy: -109.689 bonds (distance) P-C4' energy: -116.704 flat angles C4'-P-C4' energy: -141.118 flat angles P-C4'-P energy: -97.615 tors. eta vs tors. theta energy: -168.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2038.523674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.523674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.523674 (E_RNA) where: Base-Base interactions energy: -1426.151 where: short stacking energy: -594.312 Base-Backbone interact. energy: 0.497 local terms energy: -612.869879 where: bonds (distance) C4'-P energy: -92.905 bonds (distance) P-C4' energy: -107.880 flat angles C4'-P-C4' energy: -139.796 flat angles P-C4'-P energy: -89.385 tors. eta vs tors. theta energy: -182.904 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: 2 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1764.862927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.862927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.862927 (E_RNA) where: Base-Base interactions energy: -1194.362 where: short stacking energy: -524.710 Base-Backbone interact. energy: -2.042 local terms energy: -568.459177 where: bonds (distance) C4'-P energy: -119.003 bonds (distance) P-C4' energy: -105.314 flat angles C4'-P-C4' energy: -123.049 flat angles P-C4'-P energy: -73.917 tors. eta vs tors. theta energy: -147.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1664.133623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.133623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.133623 (E_RNA) where: Base-Base interactions energy: -1085.036 where: short stacking energy: -467.301 Base-Backbone interact. energy: -0.873 local terms energy: -578.224841 where: bonds (distance) C4'-P energy: -116.011 bonds (distance) P-C4' energy: -122.380 flat angles C4'-P-C4' energy: -124.943 flat angles P-C4'-P energy: -80.257 tors. eta vs tors. theta energy: -134.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1260.875546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.875546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.875546 (E_RNA) where: Base-Base interactions energy: -793.483 where: short stacking energy: -378.626 Base-Backbone interact. energy: 0.114 local terms energy: -467.506000 where: bonds (distance) C4'-P energy: -113.803 bonds (distance) P-C4' energy: -116.944 flat angles C4'-P-C4' energy: -99.760 flat angles P-C4'-P energy: -71.345 tors. eta vs tors. theta energy: -65.653 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: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1084.470927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.470927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.470927 (E_RNA) where: Base-Base interactions energy: -675.240 where: short stacking energy: -296.429 Base-Backbone interact. energy: -1.279 local terms energy: -407.951586 where: bonds (distance) C4'-P energy: -98.562 bonds (distance) P-C4' energy: -110.590 flat angles C4'-P-C4' energy: -89.913 flat angles P-C4'-P energy: -71.448 tors. eta vs tors. theta energy: -37.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2514.638277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.638277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.638277 (E_RNA) where: Base-Base interactions energy: -1739.684 where: short stacking energy: -760.631 Base-Backbone interact. energy: -2.456 local terms energy: -772.499047 where: bonds (distance) C4'-P energy: -139.403 bonds (distance) P-C4' energy: -134.418 flat angles C4'-P-C4' energy: -155.142 flat angles P-C4'-P energy: -113.034 tors. eta vs tors. theta energy: -230.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2460.600990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.600990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.600990 (E_RNA) where: Base-Base interactions energy: -1748.213 where: short stacking energy: -729.161 Base-Backbone interact. energy: -0.559 local terms energy: -711.828597 where: bonds (distance) C4'-P energy: -125.317 bonds (distance) P-C4' energy: -122.943 flat angles C4'-P-C4' energy: -148.678 flat angles P-C4'-P energy: -104.663 tors. eta vs tors. theta energy: -210.228 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: 10 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2373.842417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.842417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.842417 (E_RNA) where: Base-Base interactions energy: -1665.292 where: short stacking energy: -697.487 Base-Backbone interact. energy: -0.726 local terms energy: -707.824346 where: bonds (distance) C4'-P energy: -128.920 bonds (distance) P-C4' energy: -134.315 flat angles C4'-P-C4' energy: -138.857 flat angles P-C4'-P energy: -95.438 tors. eta vs tors. theta energy: -210.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2282.468768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.468768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.468768 (E_RNA) where: Base-Base interactions energy: -1594.585 where: short stacking energy: -679.546 Base-Backbone interact. energy: -1.214 local terms energy: -686.670503 where: bonds (distance) C4'-P energy: -116.106 bonds (distance) P-C4' energy: -139.614 flat angles C4'-P-C4' energy: -138.952 flat angles P-C4'-P energy: -93.896 tors. eta vs tors. theta energy: -198.101 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: 5, replica: 7 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2139.102388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.102388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.102388 (E_RNA) where: Base-Base interactions energy: -1486.134 where: short stacking energy: -636.637 Base-Backbone interact. energy: -3.157 local terms energy: -649.812037 where: bonds (distance) C4'-P energy: -109.843 bonds (distance) P-C4' energy: -122.111 flat angles C4'-P-C4' energy: -136.933 flat angles P-C4'-P energy: -94.095 tors. eta vs tors. theta energy: -186.831 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: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1961.695743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.695743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.695743 (E_RNA) where: Base-Base interactions energy: -1373.936 where: short stacking energy: -571.647 Base-Backbone interact. energy: 0.926 local terms energy: -588.685340 where: bonds (distance) C4'-P energy: -123.443 bonds (distance) P-C4' energy: -90.746 flat angles C4'-P-C4' energy: -131.608 flat angles P-C4'-P energy: -83.854 tors. eta vs tors. theta energy: -159.034 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: 2 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1732.097015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.097015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.097015 (E_RNA) where: Base-Base interactions energy: -1158.316 where: short stacking energy: -491.546 Base-Backbone interact. energy: -3.204 local terms energy: -570.577165 where: bonds (distance) C4'-P energy: -110.654 bonds (distance) P-C4' energy: -119.980 flat angles C4'-P-C4' energy: -130.849 flat angles P-C4'-P energy: -86.806 tors. eta vs tors. theta energy: -122.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1577.674574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.674574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.674574 (E_RNA) where: Base-Base interactions energy: -1066.476 where: short stacking energy: -467.912 Base-Backbone interact. energy: -1.208 local terms energy: -509.991043 where: bonds (distance) C4'-P energy: -102.017 bonds (distance) P-C4' energy: -115.745 flat angles C4'-P-C4' energy: -108.232 flat angles P-C4'-P energy: -68.965 tors. eta vs tors. theta energy: -115.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1171.526885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.526885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.526885 (E_RNA) where: Base-Base interactions energy: -739.707 where: short stacking energy: -323.199 Base-Backbone interact. energy: -1.909 local terms energy: -429.910119 where: bonds (distance) C4'-P energy: -106.016 bonds (distance) P-C4' energy: -104.739 flat angles C4'-P-C4' energy: -94.624 flat angles P-C4'-P energy: -74.939 tors. eta vs tors. theta energy: -49.592 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: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -1039.339465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.339465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.339465 (E_RNA) where: Base-Base interactions energy: -647.737 where: short stacking energy: -285.092 Base-Backbone interact. energy: 0.472 local terms energy: -392.074539 where: bonds (distance) C4'-P energy: -106.338 bonds (distance) P-C4' energy: -125.432 flat angles C4'-P-C4' energy: -75.146 flat angles P-C4'-P energy: -58.788 tors. eta vs tors. theta energy: -26.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2487.843143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.843143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.843143 (E_RNA) where: Base-Base interactions energy: -1718.183 where: short stacking energy: -759.420 Base-Backbone interact. energy: -3.692 local terms energy: -765.968448 where: bonds (distance) C4'-P energy: -137.392 bonds (distance) P-C4' energy: -131.189 flat angles C4'-P-C4' energy: -156.581 flat angles P-C4'-P energy: -111.332 tors. eta vs tors. theta energy: -229.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2430.243199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.243199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.243199 (E_RNA) where: Base-Base interactions energy: -1704.829 where: short stacking energy: -690.919 Base-Backbone interact. energy: 1.817 local terms energy: -727.231179 where: bonds (distance) C4'-P energy: -140.461 bonds (distance) P-C4' energy: -130.450 flat angles C4'-P-C4' energy: -152.499 flat angles P-C4'-P energy: -98.274 tors. eta vs tors. theta energy: -205.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2388.747690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.747690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.747690 (E_RNA) where: Base-Base interactions energy: -1668.323 where: short stacking energy: -699.884 Base-Backbone interact. energy: -2.602 local terms energy: -717.822096 where: bonds (distance) C4'-P energy: -125.779 bonds (distance) P-C4' energy: -123.876 flat angles C4'-P-C4' energy: -154.137 flat angles P-C4'-P energy: -111.210 tors. eta vs tors. theta energy: -202.819 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: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2305.508211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.508211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.508211 (E_RNA) where: Base-Base interactions energy: -1592.141 where: short stacking energy: -685.840 Base-Backbone interact. energy: -3.285 local terms energy: -710.081940 where: bonds (distance) C4'-P energy: -125.298 bonds (distance) P-C4' energy: -115.346 flat angles C4'-P-C4' energy: -152.316 flat angles P-C4'-P energy: -109.577 tors. eta vs tors. theta energy: -207.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2149.524697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.524697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.524697 (E_RNA) where: Base-Base interactions energy: -1488.278 where: short stacking energy: -632.703 Base-Backbone interact. energy: -0.868 local terms energy: -660.378747 where: bonds (distance) C4'-P energy: -113.134 bonds (distance) P-C4' energy: -130.993 flat angles C4'-P-C4' energy: -132.403 flat angles P-C4'-P energy: -101.944 tors. eta vs tors. theta energy: -181.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1980.270640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.270640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.270640 (E_RNA) where: Base-Base interactions energy: -1390.271 where: short stacking energy: -571.361 Base-Backbone interact. energy: 1.790 local terms energy: -591.789916 where: bonds (distance) C4'-P energy: -98.392 bonds (distance) P-C4' energy: -123.835 flat angles C4'-P-C4' energy: -127.369 flat angles P-C4'-P energy: -80.594 tors. eta vs tors. theta energy: -161.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1784.221702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.221702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.221702 (E_RNA) where: Base-Base interactions energy: -1234.213 where: short stacking energy: -527.958 Base-Backbone interact. energy: -2.667 local terms energy: -547.342089 where: bonds (distance) C4'-P energy: -96.458 bonds (distance) P-C4' energy: -114.786 flat angles C4'-P-C4' energy: -123.760 flat angles P-C4'-P energy: -85.102 tors. eta vs tors. theta energy: -127.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1524.970509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.970509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.970509 (E_RNA) where: Base-Base interactions energy: -986.940 where: short stacking energy: -433.852 Base-Backbone interact. energy: -0.011 local terms energy: -538.019755 where: bonds (distance) C4'-P energy: -112.838 bonds (distance) P-C4' energy: -116.015 flat angles C4'-P-C4' energy: -117.951 flat angles P-C4'-P energy: -93.160 tors. eta vs tors. theta energy: -98.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1245.968071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.968071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.968071 (E_RNA) where: Base-Base interactions energy: -768.330 where: short stacking energy: -331.868 Base-Backbone interact. energy: 1.791 local terms energy: -479.428996 where: bonds (distance) C4'-P energy: -103.447 bonds (distance) P-C4' energy: -109.496 flat angles C4'-P-C4' energy: -112.483 flat angles P-C4'-P energy: -90.067 tors. eta vs tors. theta energy: -63.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -1052.996195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.996195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.996195 (E_RNA) where: Base-Base interactions energy: -641.846 where: short stacking energy: -290.994 Base-Backbone interact. energy: -1.241 local terms energy: -409.909097 where: bonds (distance) C4'-P energy: -104.906 bonds (distance) P-C4' energy: -107.779 flat angles C4'-P-C4' energy: -108.566 flat angles P-C4'-P energy: -60.623 tors. eta vs tors. theta energy: -28.035 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: 1, replica: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2461.572782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.572782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.572782 (E_RNA) where: Base-Base interactions energy: -1734.115 where: short stacking energy: -744.053 Base-Backbone interact. energy: -2.163 local terms energy: -725.294811 where: bonds (distance) C4'-P energy: -127.793 bonds (distance) P-C4' energy: -127.971 flat angles C4'-P-C4' energy: -154.350 flat angles P-C4'-P energy: -96.336 tors. eta vs tors. theta energy: -218.845 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: 9 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2493.280615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.280615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.280615 (E_RNA) where: Base-Base interactions energy: -1749.708 where: short stacking energy: -736.568 Base-Backbone interact. energy: 5.469 local terms energy: -749.040756 where: bonds (distance) C4'-P energy: -138.256 bonds (distance) P-C4' energy: -140.732 flat angles C4'-P-C4' energy: -152.301 flat angles P-C4'-P energy: -103.840 tors. eta vs tors. theta energy: -213.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2429.110960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.110960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.110960 (E_RNA) where: Base-Base interactions energy: -1716.336 where: short stacking energy: -703.902 Base-Backbone interact. energy: -2.328 local terms energy: -710.447417 where: bonds (distance) C4'-P energy: -116.217 bonds (distance) P-C4' energy: -131.544 flat angles C4'-P-C4' energy: -153.658 flat angles P-C4'-P energy: -93.345 tors. eta vs tors. theta energy: -215.684 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: 4, replica: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2305.762938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.762938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.762938 (E_RNA) where: Base-Base interactions energy: -1578.712 where: short stacking energy: -666.006 Base-Backbone interact. energy: -1.573 local terms energy: -725.477502 where: bonds (distance) C4'-P energy: -132.696 bonds (distance) P-C4' energy: -136.729 flat angles C4'-P-C4' energy: -150.283 flat angles P-C4'-P energy: -106.249 tors. eta vs tors. theta energy: -199.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2139.057699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.057699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.057699 (E_RNA) where: Base-Base interactions energy: -1489.402 where: short stacking energy: -614.916 Base-Backbone interact. energy: -2.516 local terms energy: -647.140652 where: bonds (distance) C4'-P energy: -99.527 bonds (distance) P-C4' energy: -131.767 flat angles C4'-P-C4' energy: -129.784 flat angles P-C4'-P energy: -106.601 tors. eta vs tors. theta energy: -179.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2029.425387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.425387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.425387 (E_RNA) where: Base-Base interactions energy: -1417.483 where: short stacking energy: -572.618 Base-Backbone interact. energy: -0.908 local terms energy: -611.034468 where: bonds (distance) C4'-P energy: -124.062 bonds (distance) P-C4' energy: -135.449 flat angles C4'-P-C4' energy: -125.464 flat angles P-C4'-P energy: -70.369 tors. eta vs tors. theta energy: -155.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1802.758717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.758717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.758717 (E_RNA) where: Base-Base interactions energy: -1217.498 where: short stacking energy: -526.525 Base-Backbone interact. energy: -0.889 local terms energy: -584.371322 where: bonds (distance) C4'-P energy: -125.812 bonds (distance) P-C4' energy: -112.623 flat angles C4'-P-C4' energy: -128.698 flat angles P-C4'-P energy: -78.976 tors. eta vs tors. theta energy: -138.262 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: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1544.822896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.822896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.822896 (E_RNA) where: Base-Base interactions energy: -1036.592 where: short stacking energy: -440.648 Base-Backbone interact. energy: -0.566 local terms energy: -507.664977 where: bonds (distance) C4'-P energy: -110.013 bonds (distance) P-C4' energy: -107.096 flat angles C4'-P-C4' energy: -116.651 flat angles P-C4'-P energy: -73.722 tors. eta vs tors. theta energy: -100.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1256.726766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.726766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.726766 (E_RNA) where: Base-Base interactions energy: -788.823 where: short stacking energy: -360.093 Base-Backbone interact. energy: -0.405 local terms energy: -467.498869 where: bonds (distance) C4'-P energy: -92.724 bonds (distance) P-C4' energy: -129.165 flat angles C4'-P-C4' energy: -104.954 flat angles P-C4'-P energy: -66.749 tors. eta vs tors. theta energy: -73.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1049.984657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.984657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.984657 (E_RNA) where: Base-Base interactions energy: -666.098 where: short stacking energy: -301.134 Base-Backbone interact. energy: 4.794 local terms energy: -388.681261 where: bonds (distance) C4'-P energy: -112.486 bonds (distance) P-C4' energy: -113.147 flat angles C4'-P-C4' energy: -85.123 flat angles P-C4'-P energy: -53.982 tors. eta vs tors. theta energy: -23.945 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: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2451.780811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.780811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.780811 (E_RNA) where: Base-Base interactions energy: -1705.402 where: short stacking energy: -758.358 Base-Backbone interact. energy: -4.341 local terms energy: -742.037577 where: bonds (distance) C4'-P energy: -131.127 bonds (distance) P-C4' energy: -127.237 flat angles C4'-P-C4' energy: -156.266 flat angles P-C4'-P energy: -100.168 tors. eta vs tors. theta energy: -227.239 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: 9 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2457.547097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.547097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.547097 (E_RNA) where: Base-Base interactions energy: -1729.773 where: short stacking energy: -704.539 Base-Backbone interact. energy: -0.300 local terms energy: -727.473520 where: bonds (distance) C4'-P energy: -120.164 bonds (distance) P-C4' energy: -129.254 flat angles C4'-P-C4' energy: -155.453 flat angles P-C4'-P energy: -120.313 tors. eta vs tors. theta energy: -202.290 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: 10 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2370.902754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.902754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.902754 (E_RNA) where: Base-Base interactions energy: -1658.484 where: short stacking energy: -683.946 Base-Backbone interact. energy: -1.712 local terms energy: -710.707336 where: bonds (distance) C4'-P energy: -121.933 bonds (distance) P-C4' energy: -138.028 flat angles C4'-P-C4' energy: -147.850 flat angles P-C4'-P energy: -96.793 tors. eta vs tors. theta energy: -206.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2301.755441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.755441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.755441 (E_RNA) where: Base-Base interactions energy: -1599.664 where: short stacking energy: -649.452 Base-Backbone interact. energy: -1.904 local terms energy: -700.187280 where: bonds (distance) C4'-P energy: -133.911 bonds (distance) P-C4' energy: -130.535 flat angles C4'-P-C4' energy: -139.586 flat angles P-C4'-P energy: -94.784 tors. eta vs tors. theta energy: -201.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2134.640346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.640346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.640346 (E_RNA) where: Base-Base interactions energy: -1508.995 where: short stacking energy: -634.827 Base-Backbone interact. energy: -3.695 local terms energy: -621.950016 where: bonds (distance) C4'-P energy: -105.465 bonds (distance) P-C4' energy: -127.661 flat angles C4'-P-C4' energy: -135.558 flat angles P-C4'-P energy: -84.870 tors. eta vs tors. theta energy: -168.397 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: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1980.521250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.521250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.521250 (E_RNA) where: Base-Base interactions energy: -1372.601 where: short stacking energy: -562.921 Base-Backbone interact. energy: -3.502 local terms energy: -604.418006 where: bonds (distance) C4'-P energy: -116.170 bonds (distance) P-C4' energy: -119.107 flat angles C4'-P-C4' energy: -136.582 flat angles P-C4'-P energy: -79.960 tors. eta vs tors. theta energy: -152.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1817.686576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.686576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.686576 (E_RNA) where: Base-Base interactions energy: -1225.003 where: short stacking energy: -554.533 Base-Backbone interact. energy: -5.498 local terms energy: -587.185501 where: bonds (distance) C4'-P energy: -109.167 bonds (distance) P-C4' energy: -109.395 flat angles C4'-P-C4' energy: -126.366 flat angles P-C4'-P energy: -85.078 tors. eta vs tors. theta energy: -157.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1558.855566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.855566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.855566 (E_RNA) where: Base-Base interactions energy: -1019.466 where: short stacking energy: -443.511 Base-Backbone interact. energy: -2.460 local terms energy: -536.929713 where: bonds (distance) C4'-P energy: -106.440 bonds (distance) P-C4' energy: -118.297 flat angles C4'-P-C4' energy: -123.254 flat angles P-C4'-P energy: -70.949 tors. eta vs tors. theta energy: -117.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1324.247763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.247763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.247763 (E_RNA) where: Base-Base interactions energy: -842.928 where: short stacking energy: -365.008 Base-Backbone interact. energy: -4.097 local terms energy: -477.222650 where: bonds (distance) C4'-P energy: -114.480 bonds (distance) P-C4' energy: -116.378 flat angles C4'-P-C4' energy: -107.554 flat angles P-C4'-P energy: -69.923 tors. eta vs tors. theta energy: -68.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -1038.942339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.942339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.942339 (E_RNA) where: Base-Base interactions energy: -625.616 where: short stacking energy: -288.101 Base-Backbone interact. energy: 2.215 local terms energy: -415.541458 where: bonds (distance) C4'-P energy: -101.691 bonds (distance) P-C4' energy: -101.740 flat angles C4'-P-C4' energy: -105.278 flat angles P-C4'-P energy: -62.011 tors. eta vs tors. theta energy: -44.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2467.946592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.946592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.946592 (E_RNA) where: Base-Base interactions energy: -1699.762 where: short stacking energy: -743.476 Base-Backbone interact. energy: -0.906 local terms energy: -767.278738 where: bonds (distance) C4'-P energy: -128.379 bonds (distance) P-C4' energy: -131.064 flat angles C4'-P-C4' energy: -155.618 flat angles P-C4'-P energy: -118.005 tors. eta vs tors. theta energy: -234.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2444.014784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.014784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.014784 (E_RNA) where: Base-Base interactions energy: -1739.684 where: short stacking energy: -687.414 Base-Backbone interact. energy: -0.693 local terms energy: -703.637529 where: bonds (distance) C4'-P energy: -121.932 bonds (distance) P-C4' energy: -125.552 flat angles C4'-P-C4' energy: -149.761 flat angles P-C4'-P energy: -96.736 tors. eta vs tors. theta energy: -209.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2413.118533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.118533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.118533 (E_RNA) where: Base-Base interactions energy: -1710.111 where: short stacking energy: -688.135 Base-Backbone interact. energy: -1.146 local terms energy: -701.862066 where: bonds (distance) C4'-P energy: -125.812 bonds (distance) P-C4' energy: -129.626 flat angles C4'-P-C4' energy: -158.733 flat angles P-C4'-P energy: -88.573 tors. eta vs tors. theta energy: -199.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2315.876709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.876709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.876709 (E_RNA) where: Base-Base interactions energy: -1653.528 where: short stacking energy: -678.886 Base-Backbone interact. energy: 0.098 local terms energy: -662.446786 where: bonds (distance) C4'-P energy: -130.202 bonds (distance) P-C4' energy: -116.032 flat angles C4'-P-C4' energy: -135.689 flat angles P-C4'-P energy: -80.217 tors. eta vs tors. theta energy: -200.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2162.335537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.335537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.335537 (E_RNA) where: Base-Base interactions energy: -1528.400 where: short stacking energy: -647.614 Base-Backbone interact. energy: -3.496 local terms energy: -630.439158 where: bonds (distance) C4'-P energy: -109.168 bonds (distance) P-C4' energy: -120.377 flat angles C4'-P-C4' energy: -131.310 flat angles P-C4'-P energy: -88.001 tors. eta vs tors. theta energy: -181.584 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: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1985.290587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.290587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.290587 (E_RNA) where: Base-Base interactions energy: -1422.693 where: short stacking energy: -571.546 Base-Backbone interact. energy: -2.561 local terms energy: -560.036130 where: bonds (distance) C4'-P energy: -101.205 bonds (distance) P-C4' energy: -101.868 flat angles C4'-P-C4' energy: -130.246 flat angles P-C4'-P energy: -74.943 tors. eta vs tors. theta energy: -151.774 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: 2 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1781.920140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.920140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.920140 (E_RNA) where: Base-Base interactions energy: -1211.816 where: short stacking energy: -512.850 Base-Backbone interact. energy: 0.592 local terms energy: -570.695501 where: bonds (distance) C4'-P energy: -110.895 bonds (distance) P-C4' energy: -131.382 flat angles C4'-P-C4' energy: -127.881 flat angles P-C4'-P energy: -65.985 tors. eta vs tors. theta energy: -134.552 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: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1560.137983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.137983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.137983 (E_RNA) where: Base-Base interactions energy: -1046.315 where: short stacking energy: -437.567 Base-Backbone interact. energy: -0.545 local terms energy: -513.277575 where: bonds (distance) C4'-P energy: -99.887 bonds (distance) P-C4' energy: -101.638 flat angles C4'-P-C4' energy: -128.475 flat angles P-C4'-P energy: -74.958 tors. eta vs tors. theta energy: -108.320 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: 98 Temperature: 1.300000 Total energy: -1261.431342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.431342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.431342 (E_RNA) where: Base-Base interactions energy: -795.444 where: short stacking energy: -323.890 Base-Backbone interact. energy: 0.167 local terms energy: -466.153544 where: bonds (distance) C4'-P energy: -91.361 bonds (distance) P-C4' energy: -124.140 flat angles C4'-P-C4' energy: -115.506 flat angles P-C4'-P energy: -72.640 tors. eta vs tors. theta energy: -62.506 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: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -1051.427946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.427946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.427946 (E_RNA) where: Base-Base interactions energy: -667.328 where: short stacking energy: -299.228 Base-Backbone interact. energy: 0.809 local terms energy: -384.908131 where: bonds (distance) C4'-P energy: -107.729 bonds (distance) P-C4' energy: -95.943 flat angles C4'-P-C4' energy: -99.262 flat angles P-C4'-P energy: -58.994 tors. eta vs tors. theta energy: -22.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2499.755168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.755168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.755168 (E_RNA) where: Base-Base interactions energy: -1728.103 where: short stacking energy: -766.864 Base-Backbone interact. energy: -3.406 local terms energy: -768.246952 where: bonds (distance) C4'-P energy: -137.382 bonds (distance) P-C4' energy: -130.119 flat angles C4'-P-C4' energy: -162.163 flat angles P-C4'-P energy: -107.420 tors. eta vs tors. theta energy: -231.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2451.969091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.969091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.969091 (E_RNA) where: Base-Base interactions energy: -1730.792 where: short stacking energy: -729.784 Base-Backbone interact. energy: 1.164 local terms energy: -722.340787 where: bonds (distance) C4'-P energy: -116.522 bonds (distance) P-C4' energy: -147.736 flat angles C4'-P-C4' energy: -152.458 flat angles P-C4'-P energy: -97.977 tors. eta vs tors. theta energy: -207.649 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: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2419.577717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.577717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.577717 (E_RNA) where: Base-Base interactions energy: -1716.603 where: short stacking energy: -697.938 Base-Backbone interact. energy: 0.128 local terms energy: -703.102992 where: bonds (distance) C4'-P energy: -132.957 bonds (distance) P-C4' energy: -126.241 flat angles C4'-P-C4' energy: -147.036 flat angles P-C4'-P energy: -91.948 tors. eta vs tors. theta energy: -204.921 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: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2287.724069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.724069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.724069 (E_RNA) where: Base-Base interactions energy: -1598.235 where: short stacking energy: -692.526 Base-Backbone interact. energy: -0.567 local terms energy: -688.922412 where: bonds (distance) C4'-P energy: -117.209 bonds (distance) P-C4' energy: -134.507 flat angles C4'-P-C4' energy: -141.758 flat angles P-C4'-P energy: -96.142 tors. eta vs tors. theta energy: -199.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2217.495551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.495551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.495551 (E_RNA) where: Base-Base interactions energy: -1496.825 where: short stacking energy: -638.667 Base-Backbone interact. energy: -3.593 local terms energy: -717.077532 where: bonds (distance) C4'-P energy: -135.242 bonds (distance) P-C4' energy: -146.440 flat angles C4'-P-C4' energy: -138.672 flat angles P-C4'-P energy: -105.915 tors. eta vs tors. theta energy: -190.808 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: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2002.455337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.455337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.455337 (E_RNA) where: Base-Base interactions energy: -1400.568 where: short stacking energy: -586.372 Base-Backbone interact. energy: -2.486 local terms energy: -599.401768 where: bonds (distance) C4'-P energy: -124.420 bonds (distance) P-C4' energy: -115.575 flat angles C4'-P-C4' energy: -132.355 flat angles P-C4'-P energy: -65.707 tors. eta vs tors. theta energy: -161.344 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: 2 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1845.192799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.192799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.192799 (E_RNA) where: Base-Base interactions energy: -1273.897 where: short stacking energy: -537.318 Base-Backbone interact. energy: -2.665 local terms energy: -568.630992 where: bonds (distance) C4'-P energy: -116.770 bonds (distance) P-C4' energy: -119.124 flat angles C4'-P-C4' energy: -125.296 flat angles P-C4'-P energy: -70.599 tors. eta vs tors. theta energy: -136.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1610.562919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.562919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.562919 (E_RNA) where: Base-Base interactions energy: -1080.867 where: short stacking energy: -452.521 Base-Backbone interact. energy: -0.355 local terms energy: -529.340936 where: bonds (distance) C4'-P energy: -115.841 bonds (distance) P-C4' energy: -112.307 flat angles C4'-P-C4' energy: -122.413 flat angles P-C4'-P energy: -81.590 tors. eta vs tors. theta energy: -97.190 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: 4 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1268.663464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.663464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.663464 (E_RNA) where: Base-Base interactions energy: -804.878 where: short stacking energy: -335.938 Base-Backbone interact. energy: -2.476 local terms energy: -461.309294 where: bonds (distance) C4'-P energy: -125.604 bonds (distance) P-C4' energy: -124.968 flat angles C4'-P-C4' energy: -92.717 flat angles P-C4'-P energy: -64.156 tors. eta vs tors. theta energy: -53.864 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: 99 Temperature: 1.350000 Total energy: -1076.541058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.541058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.541058 (E_RNA) where: Base-Base interactions energy: -650.748 where: short stacking energy: -298.692 Base-Backbone interact. energy: -1.245 local terms energy: -424.547420 where: bonds (distance) C4'-P energy: -112.430 bonds (distance) P-C4' energy: -115.971 flat angles C4'-P-C4' energy: -105.715 flat angles P-C4'-P energy: -48.638 tors. eta vs tors. theta energy: -41.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2461.584183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.584183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.584183 (E_RNA) where: Base-Base interactions energy: -1729.429 where: short stacking energy: -743.245 Base-Backbone interact. energy: -4.341 local terms energy: -727.814250 where: bonds (distance) C4'-P energy: -122.253 bonds (distance) P-C4' energy: -125.437 flat angles C4'-P-C4' energy: -147.453 flat angles P-C4'-P energy: -99.638 tors. eta vs tors. theta energy: -233.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2438.741914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.741914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.741914 (E_RNA) where: Base-Base interactions energy: -1716.721 where: short stacking energy: -718.642 Base-Backbone interact. energy: 2.724 local terms energy: -724.744886 where: bonds (distance) C4'-P energy: -124.980 bonds (distance) P-C4' energy: -124.284 flat angles C4'-P-C4' energy: -164.055 flat angles P-C4'-P energy: -104.158 tors. eta vs tors. theta energy: -207.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2433.489101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.489101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.489101 (E_RNA) where: Base-Base interactions energy: -1737.408 where: short stacking energy: -712.191 Base-Backbone interact. energy: -0.661 local terms energy: -695.420007 where: bonds (distance) C4'-P energy: -108.577 bonds (distance) P-C4' energy: -135.206 flat angles C4'-P-C4' energy: -149.329 flat angles P-C4'-P energy: -99.041 tors. eta vs tors. theta energy: -203.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2324.083039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.083039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.083039 (E_RNA) where: Base-Base interactions energy: -1625.629 where: short stacking energy: -680.547 Base-Backbone interact. energy: 3.781 local terms energy: -702.235211 where: bonds (distance) C4'-P energy: -138.694 bonds (distance) P-C4' energy: -109.157 flat angles C4'-P-C4' energy: -152.636 flat angles P-C4'-P energy: -104.937 tors. eta vs tors. theta energy: -196.812 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: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2191.924574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.924574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.924574 (E_RNA) where: Base-Base interactions energy: -1540.028 where: short stacking energy: -645.751 Base-Backbone interact. energy: 4.871 local terms energy: -656.767732 where: bonds (distance) C4'-P energy: -127.293 bonds (distance) P-C4' energy: -98.954 flat angles C4'-P-C4' energy: -147.085 flat angles P-C4'-P energy: -88.148 tors. eta vs tors. theta energy: -195.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2001.377869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.377869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.377869 (E_RNA) where: Base-Base interactions energy: -1379.677 where: short stacking energy: -567.288 Base-Backbone interact. energy: -5.418 local terms energy: -616.283043 where: bonds (distance) C4'-P energy: -115.002 bonds (distance) P-C4' energy: -129.000 flat angles C4'-P-C4' energy: -139.669 flat angles P-C4'-P energy: -82.699 tors. eta vs tors. theta energy: -149.913 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: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1908.134412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.134412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.134412 (E_RNA) where: Base-Base interactions energy: -1328.694 where: short stacking energy: -568.839 Base-Backbone interact. energy: 1.127 local terms energy: -580.566959 where: bonds (distance) C4'-P energy: -117.119 bonds (distance) P-C4' energy: -117.724 flat angles C4'-P-C4' energy: -124.963 flat angles P-C4'-P energy: -60.727 tors. eta vs tors. theta energy: -160.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1591.178920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.178920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.178920 (E_RNA) where: Base-Base interactions energy: -1041.625 where: short stacking energy: -474.330 Base-Backbone interact. energy: -0.992 local terms energy: -548.561572 where: bonds (distance) C4'-P energy: -104.578 bonds (distance) P-C4' energy: -115.329 flat angles C4'-P-C4' energy: -129.268 flat angles P-C4'-P energy: -77.321 tors. eta vs tors. theta energy: -122.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1278.585851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.585851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.585851 (E_RNA) where: Base-Base interactions energy: -819.446 where: short stacking energy: -360.872 Base-Backbone interact. energy: -1.019 local terms energy: -458.120398 where: bonds (distance) C4'-P energy: -98.214 bonds (distance) P-C4' energy: -105.470 flat angles C4'-P-C4' energy: -113.561 flat angles P-C4'-P energy: -69.779 tors. eta vs tors. theta energy: -71.096 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: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -1072.241099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.241099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.241099 (E_RNA) where: Base-Base interactions energy: -634.405 where: short stacking energy: -317.751 Base-Backbone interact. energy: -4.348 local terms energy: -433.487654 where: bonds (distance) C4'-P energy: -119.378 bonds (distance) P-C4' energy: -121.462 flat angles C4'-P-C4' energy: -88.751 flat angles P-C4'-P energy: -54.666 tors. eta vs tors. theta energy: -49.232 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: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2465.549680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.549680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.549680 (E_RNA) where: Base-Base interactions energy: -1731.479 where: short stacking energy: -744.094 Base-Backbone interact. energy: -1.018 local terms energy: -733.052462 where: bonds (distance) C4'-P energy: -120.955 bonds (distance) P-C4' energy: -134.098 flat angles C4'-P-C4' energy: -149.708 flat angles P-C4'-P energy: -108.496 tors. eta vs tors. theta energy: -219.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2447.427456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.427456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.427456 (E_RNA) where: Base-Base interactions energy: -1729.354 where: short stacking energy: -719.249 Base-Backbone interact. energy: 2.347 local terms energy: -720.420776 where: bonds (distance) C4'-P energy: -119.984 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -161.431 flat angles P-C4'-P energy: -96.550 tors. eta vs tors. theta energy: -209.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2407.611036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.611036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.611036 (E_RNA) where: Base-Base interactions energy: -1687.437 where: short stacking energy: -705.626 Base-Backbone interact. energy: 1.873 local terms energy: -722.046703 where: bonds (distance) C4'-P energy: -123.267 bonds (distance) P-C4' energy: -129.286 flat angles C4'-P-C4' energy: -156.051 flat angles P-C4'-P energy: -100.116 tors. eta vs tors. theta energy: -213.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2293.154083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.154083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.154083 (E_RNA) where: Base-Base interactions energy: -1621.606 where: short stacking energy: -679.539 Base-Backbone interact. energy: -2.192 local terms energy: -669.355591 where: bonds (distance) C4'-P energy: -108.571 bonds (distance) P-C4' energy: -130.316 flat angles C4'-P-C4' energy: -147.007 flat angles P-C4'-P energy: -80.942 tors. eta vs tors. theta energy: -202.519 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: 101 Temperature: 1.100000 Total energy: -2216.711590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.711590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.711590 (E_RNA) where: Base-Base interactions energy: -1568.432 where: short stacking energy: -625.641 Base-Backbone interact. energy: -2.384 local terms energy: -645.895689 where: bonds (distance) C4'-P energy: -115.559 bonds (distance) P-C4' energy: -112.585 flat angles C4'-P-C4' energy: -134.474 flat angles P-C4'-P energy: -86.575 tors. eta vs tors. theta energy: -196.702 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: 6, replica: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1971.920931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.920931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.920931 (E_RNA) where: Base-Base interactions energy: -1370.571 where: short stacking energy: -583.794 Base-Backbone interact. energy: -3.665 local terms energy: -597.685446 where: bonds (distance) C4'-P energy: -105.526 bonds (distance) P-C4' energy: -103.437 flat angles C4'-P-C4' energy: -141.569 flat angles P-C4'-P energy: -77.684 tors. eta vs tors. theta energy: -169.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1874.798715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.798715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.798715 (E_RNA) where: Base-Base interactions energy: -1280.931 where: short stacking energy: -557.430 Base-Backbone interact. energy: 1.858 local terms energy: -595.725776 where: bonds (distance) C4'-P energy: -112.850 bonds (distance) P-C4' energy: -107.214 flat angles C4'-P-C4' energy: -134.504 flat angles P-C4'-P energy: -87.582 tors. eta vs tors. theta energy: -153.576 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: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1590.014985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.014985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.014985 (E_RNA) where: Base-Base interactions energy: -1056.700 where: short stacking energy: -458.948 Base-Backbone interact. energy: -4.118 local terms energy: -529.197002 where: bonds (distance) C4'-P energy: -108.668 bonds (distance) P-C4' energy: -110.182 flat angles C4'-P-C4' energy: -115.663 flat angles P-C4'-P energy: -79.791 tors. eta vs tors. theta energy: -114.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1202.930735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.930735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.930735 (E_RNA) where: Base-Base interactions energy: -744.171 where: short stacking energy: -322.962 Base-Backbone interact. energy: -1.759 local terms energy: -457.000704 where: bonds (distance) C4'-P energy: -107.678 bonds (distance) P-C4' energy: -112.195 flat angles C4'-P-C4' energy: -125.820 flat angles P-C4'-P energy: -59.022 tors. eta vs tors. theta energy: -52.286 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: 10, replica: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1035.260897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.260897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.260897 (E_RNA) where: Base-Base interactions energy: -625.278 where: short stacking energy: -286.993 Base-Backbone interact. energy: -2.835 local terms energy: -407.148020 where: bonds (distance) C4'-P energy: -96.271 bonds (distance) P-C4' energy: -109.152 flat angles C4'-P-C4' energy: -94.881 flat angles P-C4'-P energy: -63.538 tors. eta vs tors. theta energy: -43.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2481.675220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.675220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.675220 (E_RNA) where: Base-Base interactions energy: -1757.219 where: short stacking energy: -745.525 Base-Backbone interact. energy: -4.783 local terms energy: -719.673532 where: bonds (distance) C4'-P energy: -117.861 bonds (distance) P-C4' energy: -134.606 flat angles C4'-P-C4' energy: -146.606 flat angles P-C4'-P energy: -97.809 tors. eta vs tors. theta energy: -222.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2460.668288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.668288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.668288 (E_RNA) where: Base-Base interactions energy: -1725.086 where: short stacking energy: -709.630 Base-Backbone interact. energy: -0.841 local terms energy: -734.741550 where: bonds (distance) C4'-P energy: -131.870 bonds (distance) P-C4' energy: -152.150 flat angles C4'-P-C4' energy: -143.553 flat angles P-C4'-P energy: -100.146 tors. eta vs tors. theta energy: -207.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2422.696093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.696093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.696093 (E_RNA) where: Base-Base interactions energy: -1696.716 where: short stacking energy: -720.605 Base-Backbone interact. energy: -0.743 local terms energy: -725.237540 where: bonds (distance) C4'-P energy: -132.179 bonds (distance) P-C4' energy: -130.301 flat angles C4'-P-C4' energy: -149.487 flat angles P-C4'-P energy: -111.274 tors. eta vs tors. theta energy: -201.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2289.104014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.104014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.104014 (E_RNA) where: Base-Base interactions energy: -1613.627 where: short stacking energy: -671.238 Base-Backbone interact. energy: -2.028 local terms energy: -673.449611 where: bonds (distance) C4'-P energy: -116.388 bonds (distance) P-C4' energy: -121.725 flat angles C4'-P-C4' energy: -145.759 flat angles P-C4'-P energy: -89.902 tors. eta vs tors. theta energy: -199.676 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: 7 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2214.862931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.862931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.862931 (E_RNA) where: Base-Base interactions energy: -1551.276 where: short stacking energy: -636.062 Base-Backbone interact. energy: -1.451 local terms energy: -662.135783 where: bonds (distance) C4'-P energy: -121.125 bonds (distance) P-C4' energy: -114.343 flat angles C4'-P-C4' energy: -137.130 flat angles P-C4'-P energy: -101.005 tors. eta vs tors. theta energy: -188.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1986.384300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.384300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.384300 (E_RNA) where: Base-Base interactions energy: -1363.698 where: short stacking energy: -582.041 Base-Backbone interact. energy: -0.443 local terms energy: -622.242855 where: bonds (distance) C4'-P energy: -112.381 bonds (distance) P-C4' energy: -125.645 flat angles C4'-P-C4' energy: -129.006 flat angles P-C4'-P energy: -92.035 tors. eta vs tors. theta energy: -163.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1873.992119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.992119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.992119 (E_RNA) where: Base-Base interactions energy: -1278.733 where: short stacking energy: -555.322 Base-Backbone interact. energy: -0.372 local terms energy: -594.886524 where: bonds (distance) C4'-P energy: -107.711 bonds (distance) P-C4' energy: -115.520 flat angles C4'-P-C4' energy: -130.442 flat angles P-C4'-P energy: -89.367 tors. eta vs tors. theta energy: -151.847 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: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1609.927478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.927478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.927478 (E_RNA) where: Base-Base interactions energy: -1073.179 where: short stacking energy: -445.065 Base-Backbone interact. energy: -3.209 local terms energy: -533.540225 where: bonds (distance) C4'-P energy: -97.234 bonds (distance) P-C4' energy: -120.648 flat angles C4'-P-C4' energy: -119.565 flat angles P-C4'-P energy: -85.244 tors. eta vs tors. theta energy: -110.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1243.382192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.382192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.382192 (E_RNA) where: Base-Base interactions energy: -759.795 where: short stacking energy: -325.843 Base-Backbone interact. energy: -3.333 local terms energy: -480.254348 where: bonds (distance) C4'-P energy: -111.709 bonds (distance) P-C4' energy: -131.734 flat angles C4'-P-C4' energy: -101.141 flat angles P-C4'-P energy: -75.984 tors. eta vs tors. theta energy: -59.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1138.915448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.915448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.915448 (E_RNA) where: Base-Base interactions energy: -708.584 where: short stacking energy: -319.431 Base-Backbone interact. energy: 6.590 local terms energy: -436.922052 where: bonds (distance) C4'-P energy: -96.499 bonds (distance) P-C4' energy: -93.338 flat angles C4'-P-C4' energy: -111.007 flat angles P-C4'-P energy: -69.494 tors. eta vs tors. theta energy: -66.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2483.141686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.141686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.141686 (E_RNA) where: Base-Base interactions energy: -1738.840 where: short stacking energy: -738.769 Base-Backbone interact. energy: -2.210 local terms energy: -742.092123 where: bonds (distance) C4'-P energy: -121.322 bonds (distance) P-C4' energy: -124.939 flat angles C4'-P-C4' energy: -165.353 flat angles P-C4'-P energy: -103.643 tors. eta vs tors. theta energy: -226.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2457.052125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.052125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.052125 (E_RNA) where: Base-Base interactions energy: -1724.447 where: short stacking energy: -694.641 Base-Backbone interact. energy: -0.819 local terms energy: -731.786183 where: bonds (distance) C4'-P energy: -134.691 bonds (distance) P-C4' energy: -129.461 flat angles C4'-P-C4' energy: -144.237 flat angles P-C4'-P energy: -105.489 tors. eta vs tors. theta energy: -217.907 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: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2451.096812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.096812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.096812 (E_RNA) where: Base-Base interactions energy: -1730.946 where: short stacking energy: -716.807 Base-Backbone interact. energy: -0.731 local terms energy: -719.419726 where: bonds (distance) C4'-P energy: -130.871 bonds (distance) P-C4' energy: -126.148 flat angles C4'-P-C4' energy: -160.879 flat angles P-C4'-P energy: -92.348 tors. eta vs tors. theta energy: -209.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2257.437184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.437184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.437184 (E_RNA) where: Base-Base interactions energy: -1569.676 where: short stacking energy: -663.088 Base-Backbone interact. energy: -3.424 local terms energy: -684.337420 where: bonds (distance) C4'-P energy: -108.370 bonds (distance) P-C4' energy: -128.991 flat angles C4'-P-C4' energy: -147.201 flat angles P-C4'-P energy: -102.952 tors. eta vs tors. theta energy: -196.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2188.471693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.471693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.471693 (E_RNA) where: Base-Base interactions energy: -1523.261 where: short stacking energy: -620.841 Base-Backbone interact. energy: -3.351 local terms energy: -661.860353 where: bonds (distance) C4'-P energy: -123.336 bonds (distance) P-C4' energy: -127.957 flat angles C4'-P-C4' energy: -135.311 flat angles P-C4'-P energy: -88.247 tors. eta vs tors. theta energy: -187.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1993.803964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.803964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.803964 (E_RNA) where: Base-Base interactions energy: -1383.686 where: short stacking energy: -579.671 Base-Backbone interact. energy: -1.574 local terms energy: -608.544369 where: bonds (distance) C4'-P energy: -117.778 bonds (distance) P-C4' energy: -136.335 flat angles C4'-P-C4' energy: -122.768 flat angles P-C4'-P energy: -79.045 tors. eta vs tors. theta energy: -152.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1908.142989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.142989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.142989 (E_RNA) where: Base-Base interactions energy: -1300.525 where: short stacking energy: -546.966 Base-Backbone interact. energy: 0.087 local terms energy: -607.704452 where: bonds (distance) C4'-P energy: -109.332 bonds (distance) P-C4' energy: -115.659 flat angles C4'-P-C4' energy: -124.961 flat angles P-C4'-P energy: -85.149 tors. eta vs tors. theta energy: -172.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1630.614982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.614982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.614982 (E_RNA) where: Base-Base interactions energy: -1091.871 where: short stacking energy: -457.781 Base-Backbone interact. energy: 0.796 local terms energy: -539.539845 where: bonds (distance) C4'-P energy: -107.995 bonds (distance) P-C4' energy: -114.292 flat angles C4'-P-C4' energy: -126.192 flat angles P-C4'-P energy: -77.110 tors. eta vs tors. theta energy: -113.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1274.481374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.481374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.481374 (E_RNA) where: Base-Base interactions energy: -809.211 where: short stacking energy: -382.164 Base-Backbone interact. energy: 3.405 local terms energy: -468.674672 where: bonds (distance) C4'-P energy: -94.952 bonds (distance) P-C4' energy: -124.328 flat angles C4'-P-C4' energy: -109.702 flat angles P-C4'-P energy: -74.504 tors. eta vs tors. theta energy: -65.189 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: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -1169.126712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.126712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.126712 (E_RNA) where: Base-Base interactions energy: -740.566 where: short stacking energy: -318.685 Base-Backbone interact. energy: 7.138 local terms energy: -435.699547 where: bonds (distance) C4'-P energy: -124.029 bonds (distance) P-C4' energy: -112.568 flat angles C4'-P-C4' energy: -100.108 flat angles P-C4'-P energy: -56.023 tors. eta vs tors. theta energy: -42.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2472.712468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.712468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.712468 (E_RNA) where: Base-Base interactions energy: -1708.095 where: short stacking energy: -731.413 Base-Backbone interact. energy: 8.785 local terms energy: -773.402626 where: bonds (distance) C4'-P energy: -145.379 bonds (distance) P-C4' energy: -139.471 flat angles C4'-P-C4' energy: -157.906 flat angles P-C4'-P energy: -104.078 tors. eta vs tors. theta energy: -226.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2453.517077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.517077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.517077 (E_RNA) where: Base-Base interactions energy: -1745.906 where: short stacking energy: -722.006 Base-Backbone interact. energy: 0.792 local terms energy: -708.403597 where: bonds (distance) C4'-P energy: -130.822 bonds (distance) P-C4' energy: -131.383 flat angles C4'-P-C4' energy: -151.018 flat angles P-C4'-P energy: -90.249 tors. eta vs tors. theta energy: -204.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2428.629384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.629384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.629384 (E_RNA) where: Base-Base interactions energy: -1706.204 where: short stacking energy: -699.594 Base-Backbone interact. energy: -1.399 local terms energy: -721.026139 where: bonds (distance) C4'-P energy: -114.261 bonds (distance) P-C4' energy: -130.806 flat angles C4'-P-C4' energy: -147.780 flat angles P-C4'-P energy: -114.212 tors. eta vs tors. theta energy: -213.968 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: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2239.444107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.444107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.444107 (E_RNA) where: Base-Base interactions energy: -1570.909 where: short stacking energy: -647.577 Base-Backbone interact. energy: 2.406 local terms energy: -670.941366 where: bonds (distance) C4'-P energy: -111.307 bonds (distance) P-C4' energy: -119.062 flat angles C4'-P-C4' energy: -150.479 flat angles P-C4'-P energy: -98.575 tors. eta vs tors. theta energy: -191.519 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: 104 Temperature: 1.100000 Total energy: -2204.427204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.427204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.427204 (E_RNA) where: Base-Base interactions energy: -1552.622 where: short stacking energy: -624.822 Base-Backbone interact. energy: -3.458 local terms energy: -648.347540 where: bonds (distance) C4'-P energy: -119.366 bonds (distance) P-C4' energy: -131.020 flat angles C4'-P-C4' energy: -140.114 flat angles P-C4'-P energy: -79.336 tors. eta vs tors. theta energy: -178.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1986.001909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.001909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.001909 (E_RNA) where: Base-Base interactions energy: -1341.750 where: short stacking energy: -574.181 Base-Backbone interact. energy: 1.916 local terms energy: -646.167792 where: bonds (distance) C4'-P energy: -122.926 bonds (distance) P-C4' energy: -131.505 flat angles C4'-P-C4' energy: -130.573 flat angles P-C4'-P energy: -100.325 tors. eta vs tors. theta energy: -160.838 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: 2 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1842.615547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.615547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.615547 (E_RNA) where: Base-Base interactions energy: -1233.391 where: short stacking energy: -543.919 Base-Backbone interact. energy: -2.994 local terms energy: -606.231052 where: bonds (distance) C4'-P energy: -114.895 bonds (distance) P-C4' energy: -124.404 flat angles C4'-P-C4' energy: -132.524 flat angles P-C4'-P energy: -72.117 tors. eta vs tors. theta energy: -162.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1664.816581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.816581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.816581 (E_RNA) where: Base-Base interactions energy: -1121.032 where: short stacking energy: -488.955 Base-Backbone interact. energy: -0.563 local terms energy: -543.220792 where: bonds (distance) C4'-P energy: -94.710 bonds (distance) P-C4' energy: -89.379 flat angles C4'-P-C4' energy: -145.677 flat angles P-C4'-P energy: -79.635 tors. eta vs tors. theta energy: -133.820 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: 4 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1262.155842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.155842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.155842 (E_RNA) where: Base-Base interactions energy: -802.690 where: short stacking energy: -343.959 Base-Backbone interact. energy: 1.148 local terms energy: -460.613169 where: bonds (distance) C4'-P energy: -108.755 bonds (distance) P-C4' energy: -108.157 flat angles C4'-P-C4' energy: -109.038 flat angles P-C4'-P energy: -63.494 tors. eta vs tors. theta energy: -71.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1159.638128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.638128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.638128 (E_RNA) where: Base-Base interactions energy: -727.693 where: short stacking energy: -326.119 Base-Backbone interact. energy: 3.323 local terms energy: -435.268003 where: bonds (distance) C4'-P energy: -121.143 bonds (distance) P-C4' energy: -106.770 flat angles C4'-P-C4' energy: -98.206 flat angles P-C4'-P energy: -54.232 tors. eta vs tors. theta energy: -54.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2468.069762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.069762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.069762 (E_RNA) where: Base-Base interactions energy: -1685.868 where: short stacking energy: -731.892 Base-Backbone interact. energy: -0.270 local terms energy: -781.931299 where: bonds (distance) C4'-P energy: -142.778 bonds (distance) P-C4' energy: -141.691 flat angles C4'-P-C4' energy: -150.952 flat angles P-C4'-P energy: -114.845 tors. eta vs tors. theta energy: -231.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2440.481023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.481023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.481023 (E_RNA) where: Base-Base interactions energy: -1716.710 where: short stacking energy: -698.460 Base-Backbone interact. energy: -1.756 local terms energy: -722.015413 where: bonds (distance) C4'-P energy: -132.930 bonds (distance) P-C4' energy: -128.306 flat angles C4'-P-C4' energy: -151.806 flat angles P-C4'-P energy: -103.984 tors. eta vs tors. theta energy: -204.989 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: 3, replica: 10 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2462.504843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.504843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.504843 (E_RNA) where: Base-Base interactions energy: -1753.367 where: short stacking energy: -752.823 Base-Backbone interact. energy: -0.525 local terms energy: -708.612490 where: bonds (distance) C4'-P energy: -117.541 bonds (distance) P-C4' energy: -123.958 flat angles C4'-P-C4' energy: -147.087 flat angles P-C4'-P energy: -91.370 tors. eta vs tors. theta energy: -228.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2243.202663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.202663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.202663 (E_RNA) where: Base-Base interactions energy: -1572.563 where: short stacking energy: -651.320 Base-Backbone interact. energy: 3.088 local terms energy: -673.727042 where: bonds (distance) C4'-P energy: -99.912 bonds (distance) P-C4' energy: -133.963 flat angles C4'-P-C4' energy: -143.548 flat angles P-C4'-P energy: -100.452 tors. eta vs tors. theta energy: -195.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2250.527191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.527191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.527191 (E_RNA) where: Base-Base interactions energy: -1563.750 where: short stacking energy: -648.509 Base-Backbone interact. energy: -0.469 local terms energy: -686.308044 where: bonds (distance) C4'-P energy: -123.908 bonds (distance) P-C4' energy: -132.074 flat angles C4'-P-C4' energy: -145.692 flat angles P-C4'-P energy: -90.069 tors. eta vs tors. theta energy: -194.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1986.093636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.093636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.093636 (E_RNA) where: Base-Base interactions energy: -1374.200 where: short stacking energy: -593.546 Base-Backbone interact. energy: -2.602 local terms energy: -609.291571 where: bonds (distance) C4'-P energy: -104.786 bonds (distance) P-C4' energy: -123.793 flat angles C4'-P-C4' energy: -128.645 flat angles P-C4'-P energy: -81.066 tors. eta vs tors. theta energy: -171.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1794.827361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.827361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.827361 (E_RNA) where: Base-Base interactions energy: -1234.498 where: short stacking energy: -540.086 Base-Backbone interact. energy: 2.565 local terms energy: -562.894144 where: bonds (distance) C4'-P energy: -110.283 bonds (distance) P-C4' energy: -106.526 flat angles C4'-P-C4' energy: -113.905 flat angles P-C4'-P energy: -86.415 tors. eta vs tors. theta energy: -145.765 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: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1720.961379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.961379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.961379 (E_RNA) where: Base-Base interactions energy: -1156.400 where: short stacking energy: -480.709 Base-Backbone interact. energy: 0.581 local terms energy: -565.141847 where: bonds (distance) C4'-P energy: -119.462 bonds (distance) P-C4' energy: -108.955 flat angles C4'-P-C4' energy: -120.573 flat angles P-C4'-P energy: -83.056 tors. eta vs tors. theta energy: -133.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1187.081634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.081634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.081634 (E_RNA) where: Base-Base interactions energy: -741.819 where: short stacking energy: -316.962 Base-Backbone interact. energy: -0.176 local terms energy: -445.086897 where: bonds (distance) C4'-P energy: -116.479 bonds (distance) P-C4' energy: -124.499 flat angles C4'-P-C4' energy: -79.441 flat angles P-C4'-P energy: -70.961 tors. eta vs tors. theta energy: -53.706 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: 105 Temperature: 1.350000 Total energy: -1032.534200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.534200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.534200 (E_RNA) where: Base-Base interactions energy: -596.865 where: short stacking energy: -261.398 Base-Backbone interact. energy: -5.032 local terms energy: -430.637111 where: bonds (distance) C4'-P energy: -109.182 bonds (distance) P-C4' energy: -109.134 flat angles C4'-P-C4' energy: -115.393 flat angles P-C4'-P energy: -72.222 tors. eta vs tors. theta energy: -24.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2492.816063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.816063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.816063 (E_RNA) where: Base-Base interactions energy: -1758.889 where: short stacking energy: -729.073 Base-Backbone interact. energy: 1.011 local terms energy: -734.937603 where: bonds (distance) C4'-P energy: -129.749 bonds (distance) P-C4' energy: -121.863 flat angles C4'-P-C4' energy: -157.083 flat angles P-C4'-P energy: -108.515 tors. eta vs tors. theta energy: -217.728 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: 5 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2412.437760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.437760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.437760 (E_RNA) where: Base-Base interactions energy: -1690.369 where: short stacking energy: -710.861 Base-Backbone interact. energy: -4.992 local terms energy: -717.076523 where: bonds (distance) C4'-P energy: -123.771 bonds (distance) P-C4' energy: -124.048 flat angles C4'-P-C4' energy: -147.113 flat angles P-C4'-P energy: -108.862 tors. eta vs tors. theta energy: -213.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2458.337655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.337655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.337655 (E_RNA) where: Base-Base interactions energy: -1738.610 where: short stacking energy: -733.006 Base-Backbone interact. energy: -2.373 local terms energy: -717.354410 where: bonds (distance) C4'-P energy: -119.918 bonds (distance) P-C4' energy: -121.858 flat angles C4'-P-C4' energy: -154.402 flat angles P-C4'-P energy: -104.135 tors. eta vs tors. theta energy: -217.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2268.598016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.598016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.598016 (E_RNA) where: Base-Base interactions energy: -1575.553 where: short stacking energy: -657.060 Base-Backbone interact. energy: -2.486 local terms energy: -690.558862 where: bonds (distance) C4'-P energy: -114.805 bonds (distance) P-C4' energy: -131.305 flat angles C4'-P-C4' energy: -144.929 flat angles P-C4'-P energy: -95.382 tors. eta vs tors. theta energy: -204.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2220.474332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.474332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.474332 (E_RNA) where: Base-Base interactions energy: -1566.857 where: short stacking energy: -668.846 Base-Backbone interact. energy: -0.505 local terms energy: -653.112327 where: bonds (distance) C4'-P energy: -114.719 bonds (distance) P-C4' energy: -112.062 flat angles C4'-P-C4' energy: -133.924 flat angles P-C4'-P energy: -87.519 tors. eta vs tors. theta energy: -204.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1965.372997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.372997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.372997 (E_RNA) where: Base-Base interactions energy: -1353.451 where: short stacking energy: -556.030 Base-Backbone interact. energy: -4.267 local terms energy: -607.655074 where: bonds (distance) C4'-P energy: -121.630 bonds (distance) P-C4' energy: -119.376 flat angles C4'-P-C4' energy: -121.700 flat angles P-C4'-P energy: -89.608 tors. eta vs tors. theta energy: -155.341 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: 1 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1699.649443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.649443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.649443 (E_RNA) where: Base-Base interactions energy: -1173.361 where: short stacking energy: -505.868 Base-Backbone interact. energy: -2.725 local terms energy: -523.563517 where: bonds (distance) C4'-P energy: -104.165 bonds (distance) P-C4' energy: -110.236 flat angles C4'-P-C4' energy: -117.269 flat angles P-C4'-P energy: -64.451 tors. eta vs tors. theta energy: -127.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1666.549068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.549068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.549068 (E_RNA) where: Base-Base interactions energy: -1133.654 where: short stacking energy: -491.626 Base-Backbone interact. energy: -0.949 local terms energy: -531.946078 where: bonds (distance) C4'-P energy: -104.932 bonds (distance) P-C4' energy: -104.028 flat angles C4'-P-C4' energy: -107.059 flat angles P-C4'-P energy: -83.411 tors. eta vs tors. theta energy: -132.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1226.533243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.533243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.533243 (E_RNA) where: Base-Base interactions energy: -791.690 where: short stacking energy: -333.580 Base-Backbone interact. energy: 2.579 local terms energy: -437.422755 where: bonds (distance) C4'-P energy: -92.040 bonds (distance) P-C4' energy: -114.093 flat angles C4'-P-C4' energy: -129.727 flat angles P-C4'-P energy: -61.326 tors. eta vs tors. theta energy: -40.237 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: 106 Temperature: 1.350000 Total energy: -1032.313172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.313172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.313172 (E_RNA) where: Base-Base interactions energy: -638.089 where: short stacking energy: -305.290 Base-Backbone interact. energy: -2.051 local terms energy: -392.173810 where: bonds (distance) C4'-P energy: -94.692 bonds (distance) P-C4' energy: -111.129 flat angles C4'-P-C4' energy: -97.381 flat angles P-C4'-P energy: -47.422 tors. eta vs tors. theta energy: -41.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2516.102260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.102260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.102260 (E_RNA) where: Base-Base interactions energy: -1761.136 where: short stacking energy: -730.661 Base-Backbone interact. energy: 1.733 local terms energy: -756.698890 where: bonds (distance) C4'-P energy: -134.154 bonds (distance) P-C4' energy: -139.502 flat angles C4'-P-C4' energy: -163.399 flat angles P-C4'-P energy: -103.066 tors. eta vs tors. theta energy: -216.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2489.095169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.095169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.095169 (E_RNA) where: Base-Base interactions energy: -1761.958 where: short stacking energy: -724.890 Base-Backbone interact. energy: -1.346 local terms energy: -725.791792 where: bonds (distance) C4'-P energy: -127.513 bonds (distance) P-C4' energy: -126.029 flat angles C4'-P-C4' energy: -144.220 flat angles P-C4'-P energy: -115.640 tors. eta vs tors. theta energy: -212.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2356.203143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.203143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.203143 (E_RNA) where: Base-Base interactions energy: -1648.393 where: short stacking energy: -704.705 Base-Backbone interact. energy: -2.395 local terms energy: -705.414991 where: bonds (distance) C4'-P energy: -132.661 bonds (distance) P-C4' energy: -121.429 flat angles C4'-P-C4' energy: -137.502 flat angles P-C4'-P energy: -98.021 tors. eta vs tors. theta energy: -215.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2268.253969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.253969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.253969 (E_RNA) where: Base-Base interactions energy: -1568.024 where: short stacking energy: -662.770 Base-Backbone interact. energy: -0.369 local terms energy: -699.861324 where: bonds (distance) C4'-P energy: -129.828 bonds (distance) P-C4' energy: -131.659 flat angles C4'-P-C4' energy: -136.924 flat angles P-C4'-P energy: -93.546 tors. eta vs tors. theta energy: -207.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2248.866368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.866368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.866368 (E_RNA) where: Base-Base interactions energy: -1570.814 where: short stacking energy: -641.433 Base-Backbone interact. energy: -1.888 local terms energy: -676.163945 where: bonds (distance) C4'-P energy: -121.579 bonds (distance) P-C4' energy: -127.059 flat angles C4'-P-C4' energy: -147.380 flat angles P-C4'-P energy: -83.127 tors. eta vs tors. theta energy: -197.019 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: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1994.693275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.693275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.693275 (E_RNA) where: Base-Base interactions energy: -1367.855 where: short stacking energy: -576.246 Base-Backbone interact. energy: 1.292 local terms energy: -628.130916 where: bonds (distance) C4'-P energy: -102.013 bonds (distance) P-C4' energy: -131.682 flat angles C4'-P-C4' energy: -145.109 flat angles P-C4'-P energy: -88.823 tors. eta vs tors. theta energy: -160.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1758.048085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.048085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.048085 (E_RNA) where: Base-Base interactions energy: -1200.432 where: short stacking energy: -514.815 Base-Backbone interact. energy: 7.629 local terms energy: -565.245180 where: bonds (distance) C4'-P energy: -119.286 bonds (distance) P-C4' energy: -104.807 flat angles C4'-P-C4' energy: -118.450 flat angles P-C4'-P energy: -83.555 tors. eta vs tors. theta energy: -139.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1709.889812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.889812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.889812 (E_RNA) where: Base-Base interactions energy: -1139.927 where: short stacking energy: -476.247 Base-Backbone interact. energy: -1.771 local terms energy: -568.191306 where: bonds (distance) C4'-P energy: -139.109 bonds (distance) P-C4' energy: -102.460 flat angles C4'-P-C4' energy: -111.289 flat angles P-C4'-P energy: -86.519 tors. eta vs tors. theta energy: -128.813 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: 4 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1257.706189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.706189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.706189 (E_RNA) where: Base-Base interactions energy: -781.559 where: short stacking energy: -353.289 Base-Backbone interact. energy: -2.043 local terms energy: -474.104471 where: bonds (distance) C4'-P energy: -105.440 bonds (distance) P-C4' energy: -117.051 flat angles C4'-P-C4' energy: -110.251 flat angles P-C4'-P energy: -66.604 tors. eta vs tors. theta energy: -74.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -964.478636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.478636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.478636 (E_RNA) where: Base-Base interactions energy: -547.231 where: short stacking energy: -284.469 Base-Backbone interact. energy: 0.177 local terms energy: -417.424831 where: bonds (distance) C4'-P energy: -109.453 bonds (distance) P-C4' energy: -102.607 flat angles C4'-P-C4' energy: -111.239 flat angles P-C4'-P energy: -70.914 tors. eta vs tors. theta energy: -23.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2557.698439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.698439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.698439 (E_RNA) where: Base-Base interactions energy: -1815.665 where: short stacking energy: -760.500 Base-Backbone interact. energy: -1.753 local terms energy: -740.280217 where: bonds (distance) C4'-P energy: -123.754 bonds (distance) P-C4' energy: -129.609 flat angles C4'-P-C4' energy: -156.154 flat angles P-C4'-P energy: -109.244 tors. eta vs tors. theta energy: -221.519 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: 9 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2481.781816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.781816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.781816 (E_RNA) where: Base-Base interactions energy: -1741.619 where: short stacking energy: -728.449 Base-Backbone interact. energy: -1.929 local terms energy: -738.233245 where: bonds (distance) C4'-P energy: -137.386 bonds (distance) P-C4' energy: -138.538 flat angles C4'-P-C4' energy: -146.779 flat angles P-C4'-P energy: -101.907 tors. eta vs tors. theta energy: -213.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2365.923110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.923110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.923110 (E_RNA) where: Base-Base interactions energy: -1646.517 where: short stacking energy: -687.635 Base-Backbone interact. energy: -2.643 local terms energy: -716.763285 where: bonds (distance) C4'-P energy: -125.464 bonds (distance) P-C4' energy: -138.666 flat angles C4'-P-C4' energy: -148.684 flat angles P-C4'-P energy: -90.556 tors. eta vs tors. theta energy: -213.393 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: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2274.589797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.589797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.589797 (E_RNA) where: Base-Base interactions energy: -1596.411 where: short stacking energy: -667.305 Base-Backbone interact. energy: -1.263 local terms energy: -676.915940 where: bonds (distance) C4'-P energy: -110.907 bonds (distance) P-C4' energy: -136.935 flat angles C4'-P-C4' energy: -134.717 flat angles P-C4'-P energy: -89.437 tors. eta vs tors. theta energy: -204.920 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: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2257.635443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.635443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.635443 (E_RNA) where: Base-Base interactions energy: -1605.885 where: short stacking energy: -675.357 Base-Backbone interact. energy: -4.299 local terms energy: -647.452078 where: bonds (distance) C4'-P energy: -116.787 bonds (distance) P-C4' energy: -101.845 flat angles C4'-P-C4' energy: -140.712 flat angles P-C4'-P energy: -91.784 tors. eta vs tors. theta energy: -196.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2002.974854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.974854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.974854 (E_RNA) where: Base-Base interactions energy: -1404.684 where: short stacking energy: -616.506 Base-Backbone interact. energy: -0.826 local terms energy: -597.464695 where: bonds (distance) C4'-P energy: -107.344 bonds (distance) P-C4' energy: -89.906 flat angles C4'-P-C4' energy: -142.629 flat angles P-C4'-P energy: -82.662 tors. eta vs tors. theta energy: -174.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1776.729174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.729174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.729174 (E_RNA) where: Base-Base interactions energy: -1224.334 where: short stacking energy: -499.966 Base-Backbone interact. energy: -1.252 local terms energy: -551.143134 where: bonds (distance) C4'-P energy: -98.404 bonds (distance) P-C4' energy: -123.533 flat angles C4'-P-C4' energy: -132.430 flat angles P-C4'-P energy: -73.659 tors. eta vs tors. theta energy: -123.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1682.763583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.763583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.763583 (E_RNA) where: Base-Base interactions energy: -1181.295 where: short stacking energy: -480.110 Base-Backbone interact. energy: -1.656 local terms energy: -499.812867 where: bonds (distance) C4'-P energy: -107.169 bonds (distance) P-C4' energy: -99.933 flat angles C4'-P-C4' energy: -113.764 flat angles P-C4'-P energy: -70.980 tors. eta vs tors. theta energy: -107.967 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: 108 Temperature: 1.300000 Total energy: -1278.566724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.566724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.566724 (E_RNA) where: Base-Base interactions energy: -821.373 where: short stacking energy: -365.951 Base-Backbone interact. energy: -2.982 local terms energy: -454.211249 where: bonds (distance) C4'-P energy: -114.207 bonds (distance) P-C4' energy: -93.676 flat angles C4'-P-C4' energy: -78.816 flat angles P-C4'-P energy: -92.134 tors. eta vs tors. theta energy: -75.378 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: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -1004.949063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.949063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.949063 (E_RNA) where: Base-Base interactions energy: -634.661 where: short stacking energy: -285.918 Base-Backbone interact. energy: 1.497 local terms energy: -371.784776 where: bonds (distance) C4'-P energy: -93.845 bonds (distance) P-C4' energy: -92.503 flat angles C4'-P-C4' energy: -102.390 flat angles P-C4'-P energy: -35.962 tors. eta vs tors. theta energy: -47.085 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: 10 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2571.094178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.094178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.094178 (E_RNA) where: Base-Base interactions energy: -1831.961 where: short stacking energy: -766.890 Base-Backbone interact. energy: -2.349 local terms energy: -736.783782 where: bonds (distance) C4'-P energy: -123.818 bonds (distance) P-C4' energy: -136.573 flat angles C4'-P-C4' energy: -153.221 flat angles P-C4'-P energy: -103.025 tors. eta vs tors. theta energy: -220.147 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: 9 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2462.546812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.546812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.546812 (E_RNA) where: Base-Base interactions energy: -1745.058 where: short stacking energy: -722.005 Base-Backbone interact. energy: 2.152 local terms energy: -719.640912 where: bonds (distance) C4'-P energy: -133.648 bonds (distance) P-C4' energy: -123.986 flat angles C4'-P-C4' energy: -150.754 flat angles P-C4'-P energy: -102.727 tors. eta vs tors. theta energy: -208.526 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: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2372.218370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.218370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.218370 (E_RNA) where: Base-Base interactions energy: -1660.396 where: short stacking energy: -677.364 Base-Backbone interact. energy: -0.560 local terms energy: -711.261971 where: bonds (distance) C4'-P energy: -123.003 bonds (distance) P-C4' energy: -121.627 flat angles C4'-P-C4' energy: -152.900 flat angles P-C4'-P energy: -102.800 tors. eta vs tors. theta energy: -210.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2285.198819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.198819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.198819 (E_RNA) where: Base-Base interactions energy: -1614.455 where: short stacking energy: -667.163 Base-Backbone interact. energy: -3.732 local terms energy: -667.011815 where: bonds (distance) C4'-P energy: -120.315 bonds (distance) P-C4' energy: -114.088 flat angles C4'-P-C4' energy: -147.414 flat angles P-C4'-P energy: -82.754 tors. eta vs tors. theta energy: -202.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2245.935517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.935517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.935517 (E_RNA) where: Base-Base interactions energy: -1581.222 where: short stacking energy: -626.364 Base-Backbone interact. energy: -8.088 local terms energy: -656.625319 where: bonds (distance) C4'-P energy: -115.137 bonds (distance) P-C4' energy: -117.883 flat angles C4'-P-C4' energy: -127.859 flat angles P-C4'-P energy: -107.289 tors. eta vs tors. theta energy: -188.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2022.271347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.271347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.271347 (E_RNA) where: Base-Base interactions energy: -1431.069 where: short stacking energy: -606.993 Base-Backbone interact. energy: 0.887 local terms energy: -592.089348 where: bonds (distance) C4'-P energy: -107.283 bonds (distance) P-C4' energy: -92.155 flat angles C4'-P-C4' energy: -138.685 flat angles P-C4'-P energy: -79.688 tors. eta vs tors. theta energy: -174.278 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: 2 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1808.765507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.765507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.765507 (E_RNA) where: Base-Base interactions energy: -1214.449 where: short stacking energy: -534.872 Base-Backbone interact. energy: -1.750 local terms energy: -592.566305 where: bonds (distance) C4'-P energy: -118.414 bonds (distance) P-C4' energy: -105.431 flat angles C4'-P-C4' energy: -132.836 flat angles P-C4'-P energy: -83.912 tors. eta vs tors. theta energy: -151.973 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: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1703.787554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.787554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.787554 (E_RNA) where: Base-Base interactions energy: -1192.580 where: short stacking energy: -514.519 Base-Backbone interact. energy: -3.912 local terms energy: -507.296029 where: bonds (distance) C4'-P energy: -101.553 bonds (distance) P-C4' energy: -95.626 flat angles C4'-P-C4' energy: -111.649 flat angles P-C4'-P energy: -69.910 tors. eta vs tors. theta energy: -128.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1309.888904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.888904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.888904 (E_RNA) where: Base-Base interactions energy: -851.576 where: short stacking energy: -385.397 Base-Backbone interact. energy: -2.977 local terms energy: -455.335749 where: bonds (distance) C4'-P energy: -100.447 bonds (distance) P-C4' energy: -119.463 flat angles C4'-P-C4' energy: -110.620 flat angles P-C4'-P energy: -65.755 tors. eta vs tors. theta energy: -59.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -1060.912224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.912224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.912224 (E_RNA) where: Base-Base interactions energy: -673.147 where: short stacking energy: -309.291 Base-Backbone interact. energy: -1.572 local terms energy: -386.193067 where: bonds (distance) C4'-P energy: -84.920 bonds (distance) P-C4' energy: -103.335 flat angles C4'-P-C4' energy: -82.420 flat angles P-C4'-P energy: -79.836 tors. eta vs tors. theta energy: -35.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2567.893328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.893328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.893328 (E_RNA) where: Base-Base interactions energy: -1811.773 where: short stacking energy: -749.543 Base-Backbone interact. energy: -1.231 local terms energy: -754.889579 where: bonds (distance) C4'-P energy: -128.552 bonds (distance) P-C4' energy: -136.178 flat angles C4'-P-C4' energy: -163.195 flat angles P-C4'-P energy: -108.581 tors. eta vs tors. theta energy: -218.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2472.011863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.011863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.011863 (E_RNA) where: Base-Base interactions energy: -1744.166 where: short stacking energy: -701.275 Base-Backbone interact. energy: -1.263 local terms energy: -726.583602 where: bonds (distance) C4'-P energy: -122.306 bonds (distance) P-C4' energy: -143.534 flat angles C4'-P-C4' energy: -149.806 flat angles P-C4'-P energy: -102.874 tors. eta vs tors. theta energy: -208.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2377.988517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.988517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.988517 (E_RNA) where: Base-Base interactions energy: -1655.881 where: short stacking energy: -724.953 Base-Backbone interact. energy: -0.940 local terms energy: -721.166912 where: bonds (distance) C4'-P energy: -118.456 bonds (distance) P-C4' energy: -130.121 flat angles C4'-P-C4' energy: -148.881 flat angles P-C4'-P energy: -101.099 tors. eta vs tors. theta energy: -222.609 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: 4, replica: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2255.964234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.964234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.964234 (E_RNA) where: Base-Base interactions energy: -1570.399 where: short stacking energy: -651.559 Base-Backbone interact. energy: 3.730 local terms energy: -689.294869 where: bonds (distance) C4'-P energy: -131.477 bonds (distance) P-C4' energy: -125.158 flat angles C4'-P-C4' energy: -144.603 flat angles P-C4'-P energy: -92.823 tors. eta vs tors. theta energy: -195.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2229.150033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.150033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.150033 (E_RNA) where: Base-Base interactions energy: -1600.537 where: short stacking energy: -675.072 Base-Backbone interact. energy: -0.838 local terms energy: -627.774739 where: bonds (distance) C4'-P energy: -101.303 bonds (distance) P-C4' energy: -115.541 flat angles C4'-P-C4' energy: -133.969 flat angles P-C4'-P energy: -83.021 tors. eta vs tors. theta energy: -193.941 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: 110 Temperature: 1.150000 Total energy: -2068.092100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.092100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.092100 (E_RNA) where: Base-Base interactions energy: -1414.841 where: short stacking energy: -586.207 Base-Backbone interact. energy: -5.199 local terms energy: -648.052052 where: bonds (distance) C4'-P energy: -120.833 bonds (distance) P-C4' energy: -127.416 flat angles C4'-P-C4' energy: -137.651 flat angles P-C4'-P energy: -85.486 tors. eta vs tors. theta energy: -176.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1810.808972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.808972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.808972 (E_RNA) where: Base-Base interactions energy: -1238.259 where: short stacking energy: -519.661 Base-Backbone interact. energy: -0.040 local terms energy: -572.509938 where: bonds (distance) C4'-P energy: -116.061 bonds (distance) P-C4' energy: -110.167 flat angles C4'-P-C4' energy: -124.937 flat angles P-C4'-P energy: -77.026 tors. eta vs tors. theta energy: -144.320 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: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1753.396170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.396170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.396170 (E_RNA) where: Base-Base interactions energy: -1221.083 where: short stacking energy: -526.796 Base-Backbone interact. energy: -1.314 local terms energy: -530.999166 where: bonds (distance) C4'-P energy: -93.090 bonds (distance) P-C4' energy: -109.123 flat angles C4'-P-C4' energy: -128.613 flat angles P-C4'-P energy: -58.046 tors. eta vs tors. theta energy: -142.126 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: 4 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1255.338587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.338587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.338587 (E_RNA) where: Base-Base interactions energy: -788.150 where: short stacking energy: -349.956 Base-Backbone interact. energy: -0.456 local terms energy: -466.732244 where: bonds (distance) C4'-P energy: -124.299 bonds (distance) P-C4' energy: -110.665 flat angles C4'-P-C4' energy: -112.164 flat angles P-C4'-P energy: -70.765 tors. eta vs tors. theta energy: -48.839 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: 110 Temperature: 1.350000 Total energy: -1060.390703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.390703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.390703 (E_RNA) where: Base-Base interactions energy: -649.760 where: short stacking energy: -281.898 Base-Backbone interact. energy: 2.979 local terms energy: -413.609376 where: bonds (distance) C4'-P energy: -107.006 bonds (distance) P-C4' energy: -116.958 flat angles C4'-P-C4' energy: -115.523 flat angles P-C4'-P energy: -58.625 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: 1, replica: 10 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2569.358396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.358396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.358396 (E_RNA) where: Base-Base interactions energy: -1830.750 where: short stacking energy: -752.746 Base-Backbone interact. energy: -2.347 local terms energy: -736.260759 where: bonds (distance) C4'-P energy: -140.131 bonds (distance) P-C4' energy: -128.580 flat angles C4'-P-C4' energy: -156.974 flat angles P-C4'-P energy: -96.610 tors. eta vs tors. theta energy: -213.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2482.170319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.170319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.170319 (E_RNA) where: Base-Base interactions energy: -1747.376 where: short stacking energy: -719.601 Base-Backbone interact. energy: -5.262 local terms energy: -729.533081 where: bonds (distance) C4'-P energy: -139.383 bonds (distance) P-C4' energy: -129.068 flat angles C4'-P-C4' energy: -150.563 flat angles P-C4'-P energy: -100.320 tors. eta vs tors. theta energy: -210.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2379.553790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.553790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.553790 (E_RNA) where: Base-Base interactions energy: -1675.192 where: short stacking energy: -709.099 Base-Backbone interact. energy: -2.691 local terms energy: -701.670228 where: bonds (distance) C4'-P energy: -130.103 bonds (distance) P-C4' energy: -122.519 flat angles C4'-P-C4' energy: -129.911 flat angles P-C4'-P energy: -109.201 tors. eta vs tors. theta energy: -209.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2264.881416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.881416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.881416 (E_RNA) where: Base-Base interactions energy: -1600.133 where: short stacking energy: -665.039 Base-Backbone interact. energy: -3.411 local terms energy: -661.337014 where: bonds (distance) C4'-P energy: -116.401 bonds (distance) P-C4' energy: -118.197 flat angles C4'-P-C4' energy: -139.373 flat angles P-C4'-P energy: -89.414 tors. eta vs tors. theta energy: -197.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2204.931195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.931195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.931195 (E_RNA) where: Base-Base interactions energy: -1545.899 where: short stacking energy: -637.090 Base-Backbone interact. energy: -2.076 local terms energy: -656.956534 where: bonds (distance) C4'-P energy: -107.280 bonds (distance) P-C4' energy: -127.869 flat angles C4'-P-C4' energy: -136.189 flat angles P-C4'-P energy: -95.322 tors. eta vs tors. theta energy: -190.297 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: 6, replica: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2063.431578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.431578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.431578 (E_RNA) where: Base-Base interactions energy: -1454.911 where: short stacking energy: -619.873 Base-Backbone interact. energy: -1.479 local terms energy: -607.041212 where: bonds (distance) C4'-P energy: -87.227 bonds (distance) P-C4' energy: -108.093 flat angles C4'-P-C4' energy: -139.948 flat angles P-C4'-P energy: -87.177 tors. eta vs tors. theta energy: -184.596 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: 2 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1827.699023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.699023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.699023 (E_RNA) where: Base-Base interactions energy: -1227.975 where: short stacking energy: -545.879 Base-Backbone interact. energy: -3.364 local terms energy: -596.359174 where: bonds (distance) C4'-P energy: -120.323 bonds (distance) P-C4' energy: -119.819 flat angles C4'-P-C4' energy: -122.350 flat angles P-C4'-P energy: -82.577 tors. eta vs tors. theta energy: -151.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1722.463505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.463505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.463505 (E_RNA) where: Base-Base interactions energy: -1174.601 where: short stacking energy: -497.459 Base-Backbone interact. energy: -0.851 local terms energy: -547.010786 where: bonds (distance) C4'-P energy: -122.681 bonds (distance) P-C4' energy: -93.074 flat angles C4'-P-C4' energy: -127.457 flat angles P-C4'-P energy: -80.580 tors. eta vs tors. theta energy: -123.219 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: 4 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1275.942004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.942004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.942004 (E_RNA) where: Base-Base interactions energy: -844.802 where: short stacking energy: -379.097 Base-Backbone interact. energy: 0.214 local terms energy: -431.353595 where: bonds (distance) C4'-P energy: -103.748 bonds (distance) P-C4' energy: -102.798 flat angles C4'-P-C4' energy: -102.310 flat angles P-C4'-P energy: -61.964 tors. eta vs tors. theta energy: -60.533 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: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -1036.546939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.546939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.546939 (E_RNA) where: Base-Base interactions energy: -645.083 where: short stacking energy: -300.920 Base-Backbone interact. energy: 1.497 local terms energy: -392.961082 where: bonds (distance) C4'-P energy: -93.128 bonds (distance) P-C4' energy: -118.304 flat angles C4'-P-C4' energy: -91.950 flat angles P-C4'-P energy: -52.622 tors. eta vs tors. theta energy: -36.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2582.739171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.739171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.739171 (E_RNA) where: Base-Base interactions energy: -1823.611 where: short stacking energy: -743.822 Base-Backbone interact. energy: -1.593 local terms energy: -757.534951 where: bonds (distance) C4'-P energy: -122.442 bonds (distance) P-C4' energy: -134.012 flat angles C4'-P-C4' energy: -161.822 flat angles P-C4'-P energy: -117.345 tors. eta vs tors. theta energy: -221.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2460.317493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.317493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.317493 (E_RNA) where: Base-Base interactions energy: -1743.753 where: short stacking energy: -718.175 Base-Backbone interact. energy: -1.629 local terms energy: -714.935616 where: bonds (distance) C4'-P energy: -132.883 bonds (distance) P-C4' energy: -126.238 flat angles C4'-P-C4' energy: -152.086 flat angles P-C4'-P energy: -97.319 tors. eta vs tors. theta energy: -206.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2377.431585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.431585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.431585 (E_RNA) where: Base-Base interactions energy: -1666.968 where: short stacking energy: -715.203 Base-Backbone interact. energy: -1.877 local terms energy: -708.586671 where: bonds (distance) C4'-P energy: -128.651 bonds (distance) P-C4' energy: -122.677 flat angles C4'-P-C4' energy: -138.964 flat angles P-C4'-P energy: -96.459 tors. eta vs tors. theta energy: -221.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2315.416660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.416660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.416660 (E_RNA) where: Base-Base interactions energy: -1644.923 where: short stacking energy: -679.620 Base-Backbone interact. energy: -2.645 local terms energy: -667.848812 where: bonds (distance) C4'-P energy: -116.166 bonds (distance) P-C4' energy: -116.427 flat angles C4'-P-C4' energy: -147.472 flat angles P-C4'-P energy: -93.047 tors. eta vs tors. theta energy: -194.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2207.104882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.104882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.104882 (E_RNA) where: Base-Base interactions energy: -1552.139 where: short stacking energy: -633.645 Base-Backbone interact. energy: -3.785 local terms energy: -651.181124 where: bonds (distance) C4'-P energy: -113.622 bonds (distance) P-C4' energy: -128.427 flat angles C4'-P-C4' energy: -132.127 flat angles P-C4'-P energy: -90.212 tors. eta vs tors. theta energy: -186.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2069.788559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.788559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.788559 (E_RNA) where: Base-Base interactions energy: -1462.835 where: short stacking energy: -613.501 Base-Backbone interact. energy: 1.176 local terms energy: -608.129863 where: bonds (distance) C4'-P energy: -123.082 bonds (distance) P-C4' energy: -116.188 flat angles C4'-P-C4' energy: -114.704 flat angles P-C4'-P energy: -91.909 tors. eta vs tors. theta energy: -162.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1895.662822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.662822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.662822 (E_RNA) where: Base-Base interactions energy: -1338.658 where: short stacking energy: -562.308 Base-Backbone interact. energy: -1.611 local terms energy: -555.394343 where: bonds (distance) C4'-P energy: -90.192 bonds (distance) P-C4' energy: -109.571 flat angles C4'-P-C4' energy: -123.009 flat angles P-C4'-P energy: -68.716 tors. eta vs tors. theta energy: -163.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1744.305646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.305646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.305646 (E_RNA) where: Base-Base interactions energy: -1199.539 where: short stacking energy: -504.699 Base-Backbone interact. energy: -3.236 local terms energy: -541.531104 where: bonds (distance) C4'-P energy: -92.844 bonds (distance) P-C4' energy: -98.893 flat angles C4'-P-C4' energy: -131.679 flat angles P-C4'-P energy: -71.441 tors. eta vs tors. theta energy: -146.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1274.184826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.184826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.184826 (E_RNA) where: Base-Base interactions energy: -806.739 where: short stacking energy: -347.215 Base-Backbone interact. energy: 0.046 local terms energy: -467.491323 where: bonds (distance) C4'-P energy: -108.799 bonds (distance) P-C4' energy: -104.044 flat angles C4'-P-C4' energy: -116.247 flat angles P-C4'-P energy: -79.559 tors. eta vs tors. theta energy: -58.842 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: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -1137.696864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.696864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.696864 (E_RNA) where: Base-Base interactions energy: -727.260 where: short stacking energy: -349.307 Base-Backbone interact. energy: -0.154 local terms energy: -410.282816 where: bonds (distance) C4'-P energy: -91.766 bonds (distance) P-C4' energy: -104.818 flat angles C4'-P-C4' energy: -114.435 flat angles P-C4'-P energy: -45.650 tors. eta vs tors. theta energy: -53.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2579.297075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.297075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.297075 (E_RNA) where: Base-Base interactions energy: -1826.202 where: short stacking energy: -749.678 Base-Backbone interact. energy: -2.711 local terms energy: -750.384767 where: bonds (distance) C4'-P energy: -125.387 bonds (distance) P-C4' energy: -125.742 flat angles C4'-P-C4' energy: -170.107 flat angles P-C4'-P energy: -107.303 tors. eta vs tors. theta energy: -221.845 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: 9 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2499.629992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.629992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.629992 (E_RNA) where: Base-Base interactions energy: -1757.674 where: short stacking energy: -712.372 Base-Backbone interact. energy: 3.324 local terms energy: -745.280026 where: bonds (distance) C4'-P energy: -128.685 bonds (distance) P-C4' energy: -141.958 flat angles C4'-P-C4' energy: -161.197 flat angles P-C4'-P energy: -101.785 tors. eta vs tors. theta energy: -211.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2397.269778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.269778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.269778 (E_RNA) where: Base-Base interactions energy: -1673.630 where: short stacking energy: -732.979 Base-Backbone interact. energy: -0.426 local terms energy: -723.214166 where: bonds (distance) C4'-P energy: -112.411 bonds (distance) P-C4' energy: -135.479 flat angles C4'-P-C4' energy: -159.395 flat angles P-C4'-P energy: -97.885 tors. eta vs tors. theta energy: -218.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2331.920421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.920421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.920421 (E_RNA) where: Base-Base interactions energy: -1650.951 where: short stacking energy: -703.005 Base-Backbone interact. energy: -3.956 local terms energy: -677.013809 where: bonds (distance) C4'-P energy: -110.977 bonds (distance) P-C4' energy: -112.900 flat angles C4'-P-C4' energy: -146.553 flat angles P-C4'-P energy: -98.538 tors. eta vs tors. theta energy: -208.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2218.525157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.525157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.525157 (E_RNA) where: Base-Base interactions energy: -1534.242 where: short stacking energy: -648.240 Base-Backbone interact. energy: -2.508 local terms energy: -681.774819 where: bonds (distance) C4'-P energy: -121.320 bonds (distance) P-C4' energy: -117.737 flat angles C4'-P-C4' energy: -142.838 flat angles P-C4'-P energy: -98.906 tors. eta vs tors. theta energy: -200.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2079.000383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.000383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.000383 (E_RNA) where: Base-Base interactions energy: -1468.971 where: short stacking energy: -623.338 Base-Backbone interact. energy: 0.109 local terms energy: -610.137741 where: bonds (distance) C4'-P energy: -112.413 bonds (distance) P-C4' energy: -100.282 flat angles C4'-P-C4' energy: -133.241 flat angles P-C4'-P energy: -85.737 tors. eta vs tors. theta energy: -178.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1958.762091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.762091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.762091 (E_RNA) where: Base-Base interactions energy: -1359.017 where: short stacking energy: -578.347 Base-Backbone interact. energy: -0.991 local terms energy: -598.753842 where: bonds (distance) C4'-P energy: -112.785 bonds (distance) P-C4' energy: -120.094 flat angles C4'-P-C4' energy: -135.963 flat angles P-C4'-P energy: -60.544 tors. eta vs tors. theta energy: -169.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1722.821373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.821373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.821373 (E_RNA) where: Base-Base interactions energy: -1189.650 where: short stacking energy: -505.870 Base-Backbone interact. energy: 4.196 local terms energy: -537.367351 where: bonds (distance) C4'-P energy: -95.962 bonds (distance) P-C4' energy: -112.881 flat angles C4'-P-C4' energy: -115.152 flat angles P-C4'-P energy: -78.117 tors. eta vs tors. theta energy: -135.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1297.326298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.326298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.326298 (E_RNA) where: Base-Base interactions energy: -834.942 where: short stacking energy: -383.316 Base-Backbone interact. energy: 7.253 local terms energy: -469.636711 where: bonds (distance) C4'-P energy: -97.079 bonds (distance) P-C4' energy: -118.093 flat angles C4'-P-C4' energy: -117.876 flat angles P-C4'-P energy: -62.672 tors. eta vs tors. theta energy: -73.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1115.432805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.432805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.432805 (E_RNA) where: Base-Base interactions energy: -736.963 where: short stacking energy: -326.768 Base-Backbone interact. energy: -2.723 local terms energy: -375.747522 where: bonds (distance) C4'-P energy: -91.816 bonds (distance) P-C4' energy: -100.007 flat angles C4'-P-C4' energy: -96.130 flat angles P-C4'-P energy: -39.322 tors. eta vs tors. theta energy: -48.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2595.952719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.952719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.952719 (E_RNA) where: Base-Base interactions energy: -1830.131 where: short stacking energy: -754.630 Base-Backbone interact. energy: -1.069 local terms energy: -764.752793 where: bonds (distance) C4'-P energy: -138.804 bonds (distance) P-C4' energy: -126.936 flat angles C4'-P-C4' energy: -163.129 flat angles P-C4'-P energy: -106.826 tors. eta vs tors. theta energy: -229.057 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: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2488.919920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.919920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.919920 (E_RNA) where: Base-Base interactions energy: -1768.271 where: short stacking energy: -724.095 Base-Backbone interact. energy: -0.132 local terms energy: -720.516466 where: bonds (distance) C4'-P energy: -118.199 bonds (distance) P-C4' energy: -124.768 flat angles C4'-P-C4' energy: -155.732 flat angles P-C4'-P energy: -110.286 tors. eta vs tors. theta energy: -211.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2353.450114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.450114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.450114 (E_RNA) where: Base-Base interactions energy: -1665.877 where: short stacking energy: -691.323 Base-Backbone interact. energy: -0.494 local terms energy: -687.079062 where: bonds (distance) C4'-P energy: -137.923 bonds (distance) P-C4' energy: -118.130 flat angles C4'-P-C4' energy: -132.987 flat angles P-C4'-P energy: -96.938 tors. eta vs tors. theta energy: -201.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2354.773245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.773245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.773245 (E_RNA) where: Base-Base interactions energy: -1640.359 where: short stacking energy: -704.918 Base-Backbone interact. energy: -2.421 local terms energy: -711.992960 where: bonds (distance) C4'-P energy: -124.609 bonds (distance) P-C4' energy: -125.226 flat angles C4'-P-C4' energy: -152.924 flat angles P-C4'-P energy: -102.713 tors. eta vs tors. theta energy: -206.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2237.781787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.781787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.781787 (E_RNA) where: Base-Base interactions energy: -1577.592 where: short stacking energy: -638.375 Base-Backbone interact. energy: -2.134 local terms energy: -658.056047 where: bonds (distance) C4'-P energy: -121.617 bonds (distance) P-C4' energy: -123.665 flat angles C4'-P-C4' energy: -152.035 flat angles P-C4'-P energy: -72.690 tors. eta vs tors. theta energy: -188.049 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: 114 Temperature: 1.150000 Total energy: -2105.262673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.262673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.262673 (E_RNA) where: Base-Base interactions energy: -1458.406 where: short stacking energy: -585.551 Base-Backbone interact. energy: -1.984 local terms energy: -644.872940 where: bonds (distance) C4'-P energy: -113.556 bonds (distance) P-C4' energy: -125.350 flat angles C4'-P-C4' energy: -135.949 flat angles P-C4'-P energy: -100.334 tors. eta vs tors. theta energy: -169.684 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: 114 Temperature: 1.200000 Total energy: -1963.005976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.005976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.005976 (E_RNA) where: Base-Base interactions energy: -1360.140 where: short stacking energy: -565.378 Base-Backbone interact. energy: -3.381 local terms energy: -599.484280 where: bonds (distance) C4'-P energy: -125.972 bonds (distance) P-C4' energy: -101.467 flat angles C4'-P-C4' energy: -132.097 flat angles P-C4'-P energy: -90.343 tors. eta vs tors. theta energy: -149.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1729.993240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.993240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.993240 (E_RNA) where: Base-Base interactions energy: -1167.991 where: short stacking energy: -503.612 Base-Backbone interact. energy: -1.244 local terms energy: -560.758499 where: bonds (distance) C4'-P energy: -106.001 bonds (distance) P-C4' energy: -110.422 flat angles C4'-P-C4' energy: -129.746 flat angles P-C4'-P energy: -74.095 tors. eta vs tors. theta energy: -140.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1304.825071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.825071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.825071 (E_RNA) where: Base-Base interactions energy: -861.146 where: short stacking energy: -356.720 Base-Backbone interact. energy: -0.256 local terms energy: -443.422513 where: bonds (distance) C4'-P energy: -103.183 bonds (distance) P-C4' energy: -112.901 flat angles C4'-P-C4' energy: -98.762 flat angles P-C4'-P energy: -69.577 tors. eta vs tors. theta energy: -59.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -1059.267939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.267939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.267939 (E_RNA) where: Base-Base interactions energy: -652.781 where: short stacking energy: -292.421 Base-Backbone interact. energy: -1.309 local terms energy: -405.178110 where: bonds (distance) C4'-P energy: -114.772 bonds (distance) P-C4' energy: -117.396 flat angles C4'-P-C4' energy: -96.603 flat angles P-C4'-P energy: -43.977 tors. eta vs tors. theta energy: -32.430 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: 10 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2587.492209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.492209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.492209 (E_RNA) where: Base-Base interactions energy: -1839.084 where: short stacking energy: -748.362 Base-Backbone interact. energy: -3.283 local terms energy: -745.125175 where: bonds (distance) C4'-P energy: -134.266 bonds (distance) P-C4' energy: -140.017 flat angles C4'-P-C4' energy: -146.231 flat angles P-C4'-P energy: -105.981 tors. eta vs tors. theta energy: -218.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2471.793694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.793694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.793694 (E_RNA) where: Base-Base interactions energy: -1748.281 where: short stacking energy: -723.124 Base-Backbone interact. energy: -2.572 local terms energy: -720.941003 where: bonds (distance) C4'-P energy: -130.877 bonds (distance) P-C4' energy: -129.180 flat angles C4'-P-C4' energy: -149.416 flat angles P-C4'-P energy: -97.035 tors. eta vs tors. theta energy: -214.432 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: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2398.943768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.943768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.943768 (E_RNA) where: Base-Base interactions energy: -1702.643 where: short stacking energy: -702.652 Base-Backbone interact. energy: -0.858 local terms energy: -695.442456 where: bonds (distance) C4'-P energy: -119.754 bonds (distance) P-C4' energy: -121.663 flat angles C4'-P-C4' energy: -150.605 flat angles P-C4'-P energy: -98.286 tors. eta vs tors. theta energy: -205.134 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: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2333.165627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.165627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.165627 (E_RNA) where: Base-Base interactions energy: -1622.554 where: short stacking energy: -718.175 Base-Backbone interact. energy: -0.457 local terms energy: -710.155048 where: bonds (distance) C4'-P energy: -114.480 bonds (distance) P-C4' energy: -126.214 flat angles C4'-P-C4' energy: -157.668 flat angles P-C4'-P energy: -88.565 tors. eta vs tors. theta energy: -223.229 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: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2197.747194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.747194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.747194 (E_RNA) where: Base-Base interactions energy: -1526.304 where: short stacking energy: -660.657 Base-Backbone interact. energy: -2.215 local terms energy: -669.227978 where: bonds (distance) C4'-P energy: -100.858 bonds (distance) P-C4' energy: -122.286 flat angles C4'-P-C4' energy: -147.717 flat angles P-C4'-P energy: -104.356 tors. eta vs tors. theta energy: -194.010 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: 1 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2130.140655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.140655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.140655 (E_RNA) where: Base-Base interactions energy: -1500.244 where: short stacking energy: -600.287 Base-Backbone interact. energy: -2.442 local terms energy: -627.454177 where: bonds (distance) C4'-P energy: -110.917 bonds (distance) P-C4' energy: -120.133 flat angles C4'-P-C4' energy: -123.666 flat angles P-C4'-P energy: -85.636 tors. eta vs tors. theta energy: -187.103 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: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1992.699191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.699191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.699191 (E_RNA) where: Base-Base interactions energy: -1396.330 where: short stacking energy: -567.771 Base-Backbone interact. energy: 4.140 local terms energy: -600.509766 where: bonds (distance) C4'-P energy: -110.161 bonds (distance) P-C4' energy: -112.620 flat angles C4'-P-C4' energy: -119.067 flat angles P-C4'-P energy: -94.499 tors. eta vs tors. theta energy: -164.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1661.801352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.801352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.801352 (E_RNA) where: Base-Base interactions energy: -1116.190 where: short stacking energy: -484.525 Base-Backbone interact. energy: 2.811 local terms energy: -548.422381 where: bonds (distance) C4'-P energy: -97.883 bonds (distance) P-C4' energy: -112.427 flat angles C4'-P-C4' energy: -132.151 flat angles P-C4'-P energy: -71.978 tors. eta vs tors. theta energy: -133.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1331.194199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.194199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.194199 (E_RNA) where: Base-Base interactions energy: -872.029 where: short stacking energy: -355.990 Base-Backbone interact. energy: -2.132 local terms energy: -457.033243 where: bonds (distance) C4'-P energy: -112.486 bonds (distance) P-C4' energy: -113.023 flat angles C4'-P-C4' energy: -123.118 flat angles P-C4'-P energy: -50.105 tors. eta vs tors. theta energy: -58.301 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: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -1060.700203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.700203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.700203 (E_RNA) where: Base-Base interactions energy: -669.668 where: short stacking energy: -312.431 Base-Backbone interact. energy: 3.110 local terms energy: -394.141772 where: bonds (distance) C4'-P energy: -93.329 bonds (distance) P-C4' energy: -104.997 flat angles C4'-P-C4' energy: -98.760 flat angles P-C4'-P energy: -58.683 tors. eta vs tors. theta energy: -38.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2567.047560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.047560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.047560 (E_RNA) where: Base-Base interactions energy: -1807.744 where: short stacking energy: -749.764 Base-Backbone interact. energy: -1.222 local terms energy: -758.080842 where: bonds (distance) C4'-P energy: -125.953 bonds (distance) P-C4' energy: -136.940 flat angles C4'-P-C4' energy: -162.512 flat angles P-C4'-P energy: -112.184 tors. eta vs tors. theta energy: -220.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2504.761473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.761473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.761473 (E_RNA) where: Base-Base interactions energy: -1766.382 where: short stacking energy: -719.344 Base-Backbone interact. energy: -1.294 local terms energy: -737.085083 where: bonds (distance) C4'-P energy: -141.023 bonds (distance) P-C4' energy: -136.843 flat angles C4'-P-C4' energy: -150.313 flat angles P-C4'-P energy: -91.127 tors. eta vs tors. theta energy: -217.780 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: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2375.514476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.514476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.514476 (E_RNA) where: Base-Base interactions energy: -1679.310 where: short stacking energy: -694.044 Base-Backbone interact. energy: -0.021 local terms energy: -696.183241 where: bonds (distance) C4'-P energy: -120.427 bonds (distance) P-C4' energy: -128.938 flat angles C4'-P-C4' energy: -145.384 flat angles P-C4'-P energy: -98.098 tors. eta vs tors. theta energy: -203.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2329.148028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.148028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.148028 (E_RNA) where: Base-Base interactions energy: -1616.178 where: short stacking energy: -690.407 Base-Backbone interact. energy: -2.134 local terms energy: -710.836422 where: bonds (distance) C4'-P energy: -123.339 bonds (distance) P-C4' energy: -128.864 flat angles C4'-P-C4' energy: -145.115 flat angles P-C4'-P energy: -96.883 tors. eta vs tors. theta energy: -216.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2249.151608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.151608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.151608 (E_RNA) where: Base-Base interactions energy: -1579.831 where: short stacking energy: -664.945 Base-Backbone interact. energy: -1.216 local terms energy: -668.103630 where: bonds (distance) C4'-P energy: -111.275 bonds (distance) P-C4' energy: -131.510 flat angles C4'-P-C4' energy: -135.396 flat angles P-C4'-P energy: -100.094 tors. eta vs tors. theta energy: -189.829 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: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2163.698921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.698921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.698921 (E_RNA) where: Base-Base interactions energy: -1526.313 where: short stacking energy: -620.276 Base-Backbone interact. energy: -2.431 local terms energy: -634.955132 where: bonds (distance) C4'-P energy: -109.915 bonds (distance) P-C4' energy: -104.606 flat angles C4'-P-C4' energy: -141.739 flat angles P-C4'-P energy: -95.336 tors. eta vs tors. theta energy: -183.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1927.438276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.438276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.438276 (E_RNA) where: Base-Base interactions energy: -1356.104 where: short stacking energy: -558.056 Base-Backbone interact. energy: -1.356 local terms energy: -569.978942 where: bonds (distance) C4'-P energy: -92.156 bonds (distance) P-C4' energy: -112.472 flat angles C4'-P-C4' energy: -127.800 flat angles P-C4'-P energy: -96.309 tors. eta vs tors. theta energy: -141.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1676.101117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.101117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.101117 (E_RNA) where: Base-Base interactions energy: -1121.280 where: short stacking energy: -479.921 Base-Backbone interact. energy: -0.990 local terms energy: -553.830567 where: bonds (distance) C4'-P energy: -123.062 bonds (distance) P-C4' energy: -103.603 flat angles C4'-P-C4' energy: -109.856 flat angles P-C4'-P energy: -85.356 tors. eta vs tors. theta energy: -131.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1333.537087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.537087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.537087 (E_RNA) where: Base-Base interactions energy: -916.805 where: short stacking energy: -395.091 Base-Backbone interact. energy: 5.992 local terms energy: -422.723718 where: bonds (distance) C4'-P energy: -86.200 bonds (distance) P-C4' energy: -105.272 flat angles C4'-P-C4' energy: -108.497 flat angles P-C4'-P energy: -58.145 tors. eta vs tors. theta energy: -64.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -1082.089679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.089679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.089679 (E_RNA) where: Base-Base interactions energy: -682.108 where: short stacking energy: -298.166 Base-Backbone interact. energy: 1.307 local terms energy: -401.287798 where: bonds (distance) C4'-P energy: -99.159 bonds (distance) P-C4' energy: -108.951 flat angles C4'-P-C4' energy: -110.037 flat angles P-C4'-P energy: -58.078 tors. eta vs tors. theta energy: -25.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2598.036995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.036995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.036995 (E_RNA) where: Base-Base interactions energy: -1834.329 where: short stacking energy: -762.183 Base-Backbone interact. energy: -6.611 local terms energy: -757.097567 where: bonds (distance) C4'-P energy: -127.015 bonds (distance) P-C4' energy: -136.760 flat angles C4'-P-C4' energy: -166.008 flat angles P-C4'-P energy: -107.019 tors. eta vs tors. theta energy: -220.296 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: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2479.659196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.659196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.659196 (E_RNA) where: Base-Base interactions energy: -1751.121 where: short stacking energy: -743.575 Base-Backbone interact. energy: -0.772 local terms energy: -727.765851 where: bonds (distance) C4'-P energy: -123.781 bonds (distance) P-C4' energy: -131.027 flat angles C4'-P-C4' energy: -158.213 flat angles P-C4'-P energy: -99.057 tors. eta vs tors. theta energy: -215.687 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: 3, replica: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2339.346976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.346976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.346976 (E_RNA) where: Base-Base interactions energy: -1645.283 where: short stacking energy: -667.744 Base-Backbone interact. energy: -1.804 local terms energy: -692.259859 where: bonds (distance) C4'-P energy: -112.260 bonds (distance) P-C4' energy: -129.312 flat angles C4'-P-C4' energy: -156.242 flat angles P-C4'-P energy: -89.468 tors. eta vs tors. theta energy: -204.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2335.192290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.192290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.192290 (E_RNA) where: Base-Base interactions energy: -1617.356 where: short stacking energy: -710.998 Base-Backbone interact. energy: -0.280 local terms energy: -717.555827 where: bonds (distance) C4'-P energy: -134.478 bonds (distance) P-C4' energy: -113.594 flat angles C4'-P-C4' energy: -142.745 flat angles P-C4'-P energy: -104.712 tors. eta vs tors. theta energy: -222.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2271.924945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.924945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.924945 (E_RNA) where: Base-Base interactions energy: -1633.032 where: short stacking energy: -657.626 Base-Backbone interact. energy: 1.448 local terms energy: -640.341684 where: bonds (distance) C4'-P energy: -106.935 bonds (distance) P-C4' energy: -120.528 flat angles C4'-P-C4' energy: -134.594 flat angles P-C4'-P energy: -91.260 tors. eta vs tors. theta energy: -187.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2121.032513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.032513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.032513 (E_RNA) where: Base-Base interactions energy: -1455.014 where: short stacking energy: -594.825 Base-Backbone interact. energy: 0.958 local terms energy: -666.976030 where: bonds (distance) C4'-P energy: -113.582 bonds (distance) P-C4' energy: -147.424 flat angles C4'-P-C4' energy: -140.271 flat angles P-C4'-P energy: -89.576 tors. eta vs tors. theta energy: -176.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1904.011632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.011632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.011632 (E_RNA) where: Base-Base interactions energy: -1328.058 where: short stacking energy: -575.369 Base-Backbone interact. energy: -1.234 local terms energy: -574.719045 where: bonds (distance) C4'-P energy: -127.627 bonds (distance) P-C4' energy: -95.606 flat angles C4'-P-C4' energy: -121.766 flat angles P-C4'-P energy: -80.873 tors. eta vs tors. theta energy: -148.847 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: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1735.344709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.344709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.344709 (E_RNA) where: Base-Base interactions energy: -1161.095 where: short stacking energy: -482.908 Base-Backbone interact. energy: -3.022 local terms energy: -571.227315 where: bonds (distance) C4'-P energy: -115.439 bonds (distance) P-C4' energy: -133.366 flat angles C4'-P-C4' energy: -124.965 flat angles P-C4'-P energy: -71.958 tors. eta vs tors. theta energy: -125.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1370.442145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.442145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.442145 (E_RNA) where: Base-Base interactions energy: -907.797 where: short stacking energy: -363.739 Base-Backbone interact. energy: -2.323 local terms energy: -460.321868 where: bonds (distance) C4'-P energy: -80.740 bonds (distance) P-C4' energy: -116.072 flat angles C4'-P-C4' energy: -116.847 flat angles P-C4'-P energy: -83.243 tors. eta vs tors. theta energy: -63.420 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: 10, replica: 8 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -1098.795023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.795023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.795023 (E_RNA) where: Base-Base interactions energy: -707.366 where: short stacking energy: -323.139 Base-Backbone interact. energy: -3.515 local terms energy: -387.914756 where: bonds (distance) C4'-P energy: -90.337 bonds (distance) P-C4' energy: -108.408 flat angles C4'-P-C4' energy: -101.379 flat angles P-C4'-P energy: -52.349 tors. eta vs tors. theta energy: -35.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2631.075586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.075586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.075586 (E_RNA) where: Base-Base interactions energy: -1854.902 where: short stacking energy: -760.103 Base-Backbone interact. energy: 1.758 local terms energy: -777.932383 where: bonds (distance) C4'-P energy: -139.617 bonds (distance) P-C4' energy: -136.393 flat angles C4'-P-C4' energy: -154.193 flat angles P-C4'-P energy: -110.498 tors. eta vs tors. theta energy: -237.231 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: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2483.092863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.092863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.092863 (E_RNA) where: Base-Base interactions energy: -1747.304 where: short stacking energy: -736.265 Base-Backbone interact. energy: 0.294 local terms energy: -736.083057 where: bonds (distance) C4'-P energy: -134.672 bonds (distance) P-C4' energy: -136.589 flat angles C4'-P-C4' energy: -145.862 flat angles P-C4'-P energy: -101.310 tors. eta vs tors. theta energy: -217.649 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: 118 Temperature: 1.000000 Total energy: -2375.622144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.622144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.622144 (E_RNA) where: Base-Base interactions energy: -1670.174 where: short stacking energy: -720.249 Base-Backbone interact. energy: -2.852 local terms energy: -702.595644 where: bonds (distance) C4'-P energy: -122.755 bonds (distance) P-C4' energy: -118.887 flat angles C4'-P-C4' energy: -147.945 flat angles P-C4'-P energy: -106.815 tors. eta vs tors. theta energy: -206.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2315.441608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.441608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.441608 (E_RNA) where: Base-Base interactions energy: -1591.378 where: short stacking energy: -704.119 Base-Backbone interact. energy: -0.928 local terms energy: -723.135316 where: bonds (distance) C4'-P energy: -127.013 bonds (distance) P-C4' energy: -137.507 flat angles C4'-P-C4' energy: -142.574 flat angles P-C4'-P energy: -103.401 tors. eta vs tors. theta energy: -212.641 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: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2311.142326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.142326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.142326 (E_RNA) where: Base-Base interactions energy: -1637.035 where: short stacking energy: -658.662 Base-Backbone interact. energy: -1.468 local terms energy: -672.638938 where: bonds (distance) C4'-P energy: -106.647 bonds (distance) P-C4' energy: -124.184 flat angles C4'-P-C4' energy: -154.212 flat angles P-C4'-P energy: -86.979 tors. eta vs tors. theta energy: -200.618 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: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2133.932586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.932586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.932586 (E_RNA) where: Base-Base interactions energy: -1499.132 where: short stacking energy: -623.524 Base-Backbone interact. energy: -0.617 local terms energy: -634.183592 where: bonds (distance) C4'-P energy: -114.835 bonds (distance) P-C4' energy: -105.569 flat angles C4'-P-C4' energy: -143.949 flat angles P-C4'-P energy: -87.293 tors. eta vs tors. theta energy: -182.538 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: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1830.975128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.975128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.975128 (E_RNA) where: Base-Base interactions energy: -1253.307 where: short stacking energy: -533.433 Base-Backbone interact. energy: -3.190 local terms energy: -574.478164 where: bonds (distance) C4'-P energy: -119.559 bonds (distance) P-C4' energy: -95.919 flat angles C4'-P-C4' energy: -123.499 flat angles P-C4'-P energy: -78.671 tors. eta vs tors. theta energy: -156.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1693.979081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.979081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.979081 (E_RNA) where: Base-Base interactions energy: -1170.180 where: short stacking energy: -493.739 Base-Backbone interact. energy: 5.714 local terms energy: -529.513171 where: bonds (distance) C4'-P energy: -118.542 bonds (distance) P-C4' energy: -92.511 flat angles C4'-P-C4' energy: -123.433 flat angles P-C4'-P energy: -66.177 tors. eta vs tors. theta energy: -128.850 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: 9, replica: 4 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1351.214886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.214886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.214886 (E_RNA) where: Base-Base interactions energy: -860.683 where: short stacking energy: -386.565 Base-Backbone interact. energy: -1.998 local terms energy: -488.533656 where: bonds (distance) C4'-P energy: -88.183 bonds (distance) P-C4' energy: -102.088 flat angles C4'-P-C4' energy: -126.853 flat angles P-C4'-P energy: -75.344 tors. eta vs tors. theta energy: -96.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -1068.211445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.211445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.211445 (E_RNA) where: Base-Base interactions energy: -629.919 where: short stacking energy: -271.634 Base-Backbone interact. energy: 2.488 local terms energy: -440.780963 where: bonds (distance) C4'-P energy: -109.936 bonds (distance) P-C4' energy: -117.054 flat angles C4'-P-C4' energy: -111.787 flat angles P-C4'-P energy: -60.485 tors. eta vs tors. theta energy: -41.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2603.331091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.331091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.331091 (E_RNA) where: Base-Base interactions energy: -1852.229 where: short stacking energy: -756.821 Base-Backbone interact. energy: -2.804 local terms energy: -748.297747 where: bonds (distance) C4'-P energy: -120.717 bonds (distance) P-C4' energy: -129.534 flat angles C4'-P-C4' energy: -160.232 flat angles P-C4'-P energy: -107.769 tors. eta vs tors. theta energy: -230.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2471.147802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.147802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.147802 (E_RNA) where: Base-Base interactions energy: -1748.931 where: short stacking energy: -738.167 Base-Backbone interact. energy: -0.035 local terms energy: -722.181903 where: bonds (distance) C4'-P energy: -120.722 bonds (distance) P-C4' energy: -133.231 flat angles C4'-P-C4' energy: -153.312 flat angles P-C4'-P energy: -97.260 tors. eta vs tors. theta energy: -217.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2410.822866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.822866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.822866 (E_RNA) where: Base-Base interactions energy: -1709.867 where: short stacking energy: -725.345 Base-Backbone interact. energy: 0.632 local terms energy: -701.588072 where: bonds (distance) C4'-P energy: -118.457 bonds (distance) P-C4' energy: -139.247 flat angles C4'-P-C4' energy: -135.712 flat angles P-C4'-P energy: -100.706 tors. eta vs tors. theta energy: -207.467 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: 4, replica: 1 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2334.068741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.068741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.068741 (E_RNA) where: Base-Base interactions energy: -1640.136 where: short stacking energy: -649.881 Base-Backbone interact. energy: -1.976 local terms energy: -691.956709 where: bonds (distance) C4'-P energy: -120.504 bonds (distance) P-C4' energy: -129.487 flat angles C4'-P-C4' energy: -142.597 flat angles P-C4'-P energy: -96.478 tors. eta vs tors. theta energy: -202.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2286.100360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.100360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.100360 (E_RNA) where: Base-Base interactions energy: -1588.801 where: short stacking energy: -687.745 Base-Backbone interact. energy: 1.826 local terms energy: -699.125041 where: bonds (distance) C4'-P energy: -124.533 bonds (distance) P-C4' energy: -127.047 flat angles C4'-P-C4' energy: -142.403 flat angles P-C4'-P energy: -90.893 tors. eta vs tors. theta energy: -214.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2142.811455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.811455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.811455 (E_RNA) where: Base-Base interactions energy: -1506.935 where: short stacking energy: -649.820 Base-Backbone interact. energy: -1.806 local terms energy: -634.070408 where: bonds (distance) C4'-P energy: -114.950 bonds (distance) P-C4' energy: -103.760 flat angles C4'-P-C4' energy: -148.408 flat angles P-C4'-P energy: -87.730 tors. eta vs tors. theta energy: -179.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1868.501649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.501649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.501649 (E_RNA) where: Base-Base interactions energy: -1281.282 where: short stacking energy: -540.436 Base-Backbone interact. energy: -2.271 local terms energy: -584.948679 where: bonds (distance) C4'-P energy: -108.640 bonds (distance) P-C4' energy: -107.624 flat angles C4'-P-C4' energy: -132.868 flat angles P-C4'-P energy: -85.342 tors. eta vs tors. theta energy: -150.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1656.844806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.844806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.844806 (E_RNA) where: Base-Base interactions energy: -1149.654 where: short stacking energy: -502.332 Base-Backbone interact. energy: -2.666 local terms energy: -504.524387 where: bonds (distance) C4'-P energy: -93.032 bonds (distance) P-C4' energy: -90.929 flat angles C4'-P-C4' energy: -127.457 flat angles P-C4'-P energy: -68.540 tors. eta vs tors. theta energy: -124.568 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: 9, replica: 4 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1328.626169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.626169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.626169 (E_RNA) where: Base-Base interactions energy: -862.285 where: short stacking energy: -391.596 Base-Backbone interact. energy: -1.315 local terms energy: -465.026639 where: bonds (distance) C4'-P energy: -109.128 bonds (distance) P-C4' energy: -102.768 flat angles C4'-P-C4' energy: -110.762 flat angles P-C4'-P energy: -67.413 tors. eta vs tors. theta energy: -74.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -1076.605825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.605825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.605825 (E_RNA) where: Base-Base interactions energy: -653.597 where: short stacking energy: -313.872 Base-Backbone interact. energy: 1.164 local terms energy: -424.172794 where: bonds (distance) C4'-P energy: -98.582 bonds (distance) P-C4' energy: -105.709 flat angles C4'-P-C4' energy: -99.066 flat angles P-C4'-P energy: -68.547 tors. eta vs tors. theta energy: -52.270 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: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2591.524602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.524602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.524602 (E_RNA) where: Base-Base interactions energy: -1852.310 where: short stacking energy: -770.398 Base-Backbone interact. energy: -3.199 local terms energy: -736.015575 where: bonds (distance) C4'-P energy: -131.190 bonds (distance) P-C4' energy: -118.589 flat angles C4'-P-C4' energy: -152.761 flat angles P-C4'-P energy: -111.714 tors. eta vs tors. theta energy: -221.761 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: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2479.865055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.865055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.865055 (E_RNA) where: Base-Base interactions energy: -1737.544 where: short stacking energy: -705.107 Base-Backbone interact. energy: -2.441 local terms energy: -739.880444 where: bonds (distance) C4'-P energy: -131.239 bonds (distance) P-C4' energy: -130.773 flat angles C4'-P-C4' energy: -146.096 flat angles P-C4'-P energy: -106.793 tors. eta vs tors. theta energy: -224.980 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: 7 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2396.223414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.223414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.223414 (E_RNA) where: Base-Base interactions energy: -1719.498 where: short stacking energy: -690.716 Base-Backbone interact. energy: -3.745 local terms energy: -672.980530 where: bonds (distance) C4'-P energy: -123.571 bonds (distance) P-C4' energy: -122.454 flat angles C4'-P-C4' energy: -144.207 flat angles P-C4'-P energy: -91.052 tors. eta vs tors. theta energy: -191.697 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: 1 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2306.171267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.171267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.171267 (E_RNA) where: Base-Base interactions energy: -1606.325 where: short stacking energy: -630.862 Base-Backbone interact. energy: -1.182 local terms energy: -698.664418 where: bonds (distance) C4'-P energy: -133.001 bonds (distance) P-C4' energy: -140.711 flat angles C4'-P-C4' energy: -139.562 flat angles P-C4'-P energy: -93.504 tors. eta vs tors. theta energy: -191.886 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: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2261.931591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.931591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.931591 (E_RNA) where: Base-Base interactions energy: -1590.267 where: short stacking energy: -711.310 Base-Backbone interact. energy: -1.445 local terms energy: -670.219738 where: bonds (distance) C4'-P energy: -116.364 bonds (distance) P-C4' energy: -115.533 flat angles C4'-P-C4' energy: -146.926 flat angles P-C4'-P energy: -74.900 tors. eta vs tors. theta energy: -216.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2103.894127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.894127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.894127 (E_RNA) where: Base-Base interactions energy: -1489.253 where: short stacking energy: -586.039 Base-Backbone interact. energy: -4.110 local terms energy: -610.530723 where: bonds (distance) C4'-P energy: -121.271 bonds (distance) P-C4' energy: -98.310 flat angles C4'-P-C4' energy: -138.049 flat angles P-C4'-P energy: -88.041 tors. eta vs tors. theta energy: -164.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1964.429360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.429360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.429360 (E_RNA) where: Base-Base interactions energy: -1358.270 where: short stacking energy: -569.565 Base-Backbone interact. energy: -4.217 local terms energy: -601.942483 where: bonds (distance) C4'-P energy: -131.750 bonds (distance) P-C4' energy: -106.911 flat angles C4'-P-C4' energy: -125.187 flat angles P-C4'-P energy: -76.912 tors. eta vs tors. theta energy: -161.183 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: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1640.301952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.301952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.301952 (E_RNA) where: Base-Base interactions energy: -1059.967 where: short stacking energy: -480.388 Base-Backbone interact. energy: 0.613 local terms energy: -580.948253 where: bonds (distance) C4'-P energy: -119.664 bonds (distance) P-C4' energy: -127.518 flat angles C4'-P-C4' energy: -122.148 flat angles P-C4'-P energy: -83.553 tors. eta vs tors. theta energy: -128.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1310.258475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.258475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.258475 (E_RNA) where: Base-Base interactions energy: -850.559 where: short stacking energy: -378.370 Base-Backbone interact. energy: -3.076 local terms energy: -456.623443 where: bonds (distance) C4'-P energy: -99.184 bonds (distance) P-C4' energy: -97.774 flat angles C4'-P-C4' energy: -128.726 flat angles P-C4'-P energy: -63.878 tors. eta vs tors. theta energy: -67.061 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: 120 Temperature: 1.350000 Total energy: -1033.499102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.499102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.499102 (E_RNA) where: Base-Base interactions energy: -646.593 where: short stacking energy: -295.142 Base-Backbone interact. energy: 3.763 local terms energy: -390.669932 where: bonds (distance) C4'-P energy: -103.297 bonds (distance) P-C4' energy: -93.732 flat angles C4'-P-C4' energy: -103.987 flat angles P-C4'-P energy: -52.443 tors. eta vs tors. theta energy: -37.210 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: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2636.235065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.235065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.235065 (E_RNA) where: Base-Base interactions energy: -1863.524 where: short stacking energy: -757.414 Base-Backbone interact. energy: -4.435 local terms energy: -768.276663 where: bonds (distance) C4'-P energy: -137.039 bonds (distance) P-C4' energy: -148.571 flat angles C4'-P-C4' energy: -151.543 flat angles P-C4'-P energy: -107.117 tors. eta vs tors. theta energy: -224.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2439.806412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.806412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.806412 (E_RNA) where: Base-Base interactions energy: -1706.983 where: short stacking energy: -711.506 Base-Backbone interact. energy: -3.026 local terms energy: -729.797110 where: bonds (distance) C4'-P energy: -140.102 bonds (distance) P-C4' energy: -119.547 flat angles C4'-P-C4' energy: -153.832 flat angles P-C4'-P energy: -97.277 tors. eta vs tors. theta energy: -219.039 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: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2375.500136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.500136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.500136 (E_RNA) where: Base-Base interactions energy: -1697.809 where: short stacking energy: -714.774 Base-Backbone interact. energy: -0.717 local terms energy: -676.973889 where: bonds (distance) C4'-P energy: -113.685 bonds (distance) P-C4' energy: -134.637 flat angles C4'-P-C4' energy: -145.829 flat angles P-C4'-P energy: -83.580 tors. eta vs tors. theta energy: -199.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2271.356968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.356968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.356968 (E_RNA) where: Base-Base interactions energy: -1592.260 where: short stacking energy: -669.327 Base-Backbone interact. energy: -3.117 local terms energy: -675.979653 where: bonds (distance) C4'-P energy: -128.913 bonds (distance) P-C4' energy: -120.423 flat angles C4'-P-C4' energy: -136.980 flat angles P-C4'-P energy: -87.338 tors. eta vs tors. theta energy: -202.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2260.659529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.659529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.659529 (E_RNA) where: Base-Base interactions energy: -1593.642 where: short stacking energy: -677.886 Base-Backbone interact. energy: 4.839 local terms energy: -671.857334 where: bonds (distance) C4'-P energy: -98.173 bonds (distance) P-C4' energy: -118.186 flat angles C4'-P-C4' energy: -145.989 flat angles P-C4'-P energy: -101.353 tors. eta vs tors. theta energy: -208.157 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: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2084.920302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.920302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.920302 (E_RNA) where: Base-Base interactions energy: -1494.512 where: short stacking energy: -614.306 Base-Backbone interact. energy: 0.304 local terms energy: -590.712308 where: bonds (distance) C4'-P energy: -94.375 bonds (distance) P-C4' energy: -113.298 flat angles C4'-P-C4' energy: -136.222 flat angles P-C4'-P energy: -81.147 tors. eta vs tors. theta energy: -165.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1865.660397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.660397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.660397 (E_RNA) where: Base-Base interactions energy: -1318.087 where: short stacking energy: -526.767 Base-Backbone interact. energy: 0.807 local terms energy: -548.379602 where: bonds (distance) C4'-P energy: -105.132 bonds (distance) P-C4' energy: -103.158 flat angles C4'-P-C4' energy: -126.313 flat angles P-C4'-P energy: -84.010 tors. eta vs tors. theta energy: -129.767 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: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1607.711488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.711488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.711488 (E_RNA) where: Base-Base interactions energy: -1085.391 where: short stacking energy: -440.593 Base-Backbone interact. energy: -5.415 local terms energy: -516.906148 where: bonds (distance) C4'-P energy: -116.603 bonds (distance) P-C4' energy: -100.312 flat angles C4'-P-C4' energy: -113.226 flat angles P-C4'-P energy: -69.960 tors. eta vs tors. theta energy: -116.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1310.100438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.100438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.100438 (E_RNA) where: Base-Base interactions energy: -843.675 where: short stacking energy: -380.393 Base-Backbone interact. energy: -0.948 local terms energy: -465.477828 where: bonds (distance) C4'-P energy: -109.640 bonds (distance) P-C4' energy: -93.872 flat angles C4'-P-C4' energy: -112.083 flat angles P-C4'-P energy: -80.933 tors. eta vs tors. theta energy: -68.950 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: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -1087.865793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.865793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.865793 (E_RNA) where: Base-Base interactions energy: -690.707 where: short stacking energy: -321.783 Base-Backbone interact. energy: 0.004 local terms energy: -397.163017 where: bonds (distance) C4'-P energy: -103.450 bonds (distance) P-C4' energy: -104.483 flat angles C4'-P-C4' energy: -96.632 flat angles P-C4'-P energy: -56.997 tors. eta vs tors. theta energy: -35.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2604.568425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.568425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.568425 (E_RNA) where: Base-Base interactions energy: -1846.219 where: short stacking energy: -764.336 Base-Backbone interact. energy: -4.011 local terms energy: -754.338328 where: bonds (distance) C4'-P energy: -138.830 bonds (distance) P-C4' energy: -132.176 flat angles C4'-P-C4' energy: -148.430 flat angles P-C4'-P energy: -108.534 tors. eta vs tors. theta energy: -226.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2437.417179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.417179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.417179 (E_RNA) where: Base-Base interactions energy: -1696.735 where: short stacking energy: -690.881 Base-Backbone interact. energy: -3.255 local terms energy: -737.426769 where: bonds (distance) C4'-P energy: -140.388 bonds (distance) P-C4' energy: -136.129 flat angles C4'-P-C4' energy: -153.755 flat angles P-C4'-P energy: -96.328 tors. eta vs tors. theta energy: -210.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2410.975517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.975517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.975517 (E_RNA) where: Base-Base interactions energy: -1696.351 where: short stacking energy: -720.029 Base-Backbone interact. energy: -1.423 local terms energy: -713.202087 where: bonds (distance) C4'-P energy: -131.966 bonds (distance) P-C4' energy: -129.286 flat angles C4'-P-C4' energy: -151.963 flat angles P-C4'-P energy: -98.650 tors. eta vs tors. theta energy: -201.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2299.714985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.714985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.714985 (E_RNA) where: Base-Base interactions energy: -1591.872 where: short stacking energy: -667.719 Base-Backbone interact. energy: -0.818 local terms energy: -707.024469 where: bonds (distance) C4'-P energy: -132.671 bonds (distance) P-C4' energy: -132.249 flat angles C4'-P-C4' energy: -148.034 flat angles P-C4'-P energy: -97.591 tors. eta vs tors. theta energy: -196.479 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: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2229.838080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.838080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.838080 (E_RNA) where: Base-Base interactions energy: -1557.782 where: short stacking energy: -667.318 Base-Backbone interact. energy: 2.951 local terms energy: -675.006750 where: bonds (distance) C4'-P energy: -104.679 bonds (distance) P-C4' energy: -131.632 flat angles C4'-P-C4' energy: -144.689 flat angles P-C4'-P energy: -93.293 tors. eta vs tors. theta energy: -200.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2143.986150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.986150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.986150 (E_RNA) where: Base-Base interactions energy: -1503.882 where: short stacking energy: -601.985 Base-Backbone interact. energy: -3.059 local terms energy: -637.046021 where: bonds (distance) C4'-P energy: -115.311 bonds (distance) P-C4' energy: -128.056 flat angles C4'-P-C4' energy: -135.443 flat angles P-C4'-P energy: -85.724 tors. eta vs tors. theta energy: -172.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1916.834668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.834668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.834668 (E_RNA) where: Base-Base interactions energy: -1312.260 where: short stacking energy: -568.062 Base-Backbone interact. energy: 0.008 local terms energy: -604.582236 where: bonds (distance) C4'-P energy: -114.642 bonds (distance) P-C4' energy: -104.180 flat angles C4'-P-C4' energy: -132.569 flat angles P-C4'-P energy: -91.709 tors. eta vs tors. theta energy: -161.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1663.307255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.307255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.307255 (E_RNA) where: Base-Base interactions energy: -1133.581 where: short stacking energy: -505.520 Base-Backbone interact. energy: -2.644 local terms energy: -527.082181 where: bonds (distance) C4'-P energy: -107.534 bonds (distance) P-C4' energy: -97.990 flat angles C4'-P-C4' energy: -120.849 flat angles P-C4'-P energy: -77.415 tors. eta vs tors. theta energy: -123.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1282.944155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.944155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.944155 (E_RNA) where: Base-Base interactions energy: -811.074 where: short stacking energy: -369.842 Base-Backbone interact. energy: -0.628 local terms energy: -471.242324 where: bonds (distance) C4'-P energy: -124.114 bonds (distance) P-C4' energy: -110.747 flat angles C4'-P-C4' energy: -100.771 flat angles P-C4'-P energy: -73.294 tors. eta vs tors. theta energy: -62.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -1027.994394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.994394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.994394 (E_RNA) where: Base-Base interactions energy: -621.706 where: short stacking energy: -282.613 Base-Backbone interact. energy: -0.798 local terms energy: -405.491033 where: bonds (distance) C4'-P energy: -106.592 bonds (distance) P-C4' energy: -98.312 flat angles C4'-P-C4' energy: -102.977 flat angles P-C4'-P energy: -60.909 tors. eta vs tors. theta energy: -36.700 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: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2633.187585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.187585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.187585 (E_RNA) where: Base-Base interactions energy: -1854.359 where: short stacking energy: -767.316 Base-Backbone interact. energy: -1.782 local terms energy: -777.046690 where: bonds (distance) C4'-P energy: -131.381 bonds (distance) P-C4' energy: -142.197 flat angles C4'-P-C4' energy: -163.472 flat angles P-C4'-P energy: -111.714 tors. eta vs tors. theta energy: -228.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2481.265953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.265953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.265953 (E_RNA) where: Base-Base interactions energy: -1760.860 where: short stacking energy: -715.450 Base-Backbone interact. energy: -2.128 local terms energy: -718.278346 where: bonds (distance) C4'-P energy: -124.664 bonds (distance) P-C4' energy: -136.238 flat angles C4'-P-C4' energy: -151.018 flat angles P-C4'-P energy: -98.169 tors. eta vs tors. theta energy: -208.190 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: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2358.349664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.349664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.349664 (E_RNA) where: Base-Base interactions energy: -1645.566 where: short stacking energy: -649.814 Base-Backbone interact. energy: -2.932 local terms energy: -709.851428 where: bonds (distance) C4'-P energy: -137.332 bonds (distance) P-C4' energy: -127.775 flat angles C4'-P-C4' energy: -156.820 flat angles P-C4'-P energy: -98.238 tors. eta vs tors. theta energy: -189.685 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: 1 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2293.690279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.690279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.690279 (E_RNA) where: Base-Base interactions energy: -1633.839 where: short stacking energy: -684.484 Base-Backbone interact. energy: -1.034 local terms energy: -658.817589 where: bonds (distance) C4'-P energy: -115.167 bonds (distance) P-C4' energy: -103.583 flat angles C4'-P-C4' energy: -140.433 flat angles P-C4'-P energy: -100.225 tors. eta vs tors. theta energy: -199.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2241.301889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.301889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.301889 (E_RNA) where: Base-Base interactions energy: -1570.933 where: short stacking energy: -653.685 Base-Backbone interact. energy: -1.811 local terms energy: -668.558151 where: bonds (distance) C4'-P energy: -107.399 bonds (distance) P-C4' energy: -127.851 flat angles C4'-P-C4' energy: -130.909 flat angles P-C4'-P energy: -99.533 tors. eta vs tors. theta energy: -202.866 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: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2060.611480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.611480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.611480 (E_RNA) where: Base-Base interactions energy: -1448.617 where: short stacking energy: -575.819 Base-Backbone interact. energy: 0.299 local terms energy: -612.292569 where: bonds (distance) C4'-P energy: -102.929 bonds (distance) P-C4' energy: -127.364 flat angles C4'-P-C4' energy: -128.489 flat angles P-C4'-P energy: -89.199 tors. eta vs tors. theta energy: -164.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1971.235332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.235332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.235332 (E_RNA) where: Base-Base interactions energy: -1371.439 where: short stacking energy: -579.885 Base-Backbone interact. energy: -2.396 local terms energy: -597.401237 where: bonds (distance) C4'-P energy: -103.970 bonds (distance) P-C4' energy: -117.744 flat angles C4'-P-C4' energy: -130.674 flat angles P-C4'-P energy: -88.506 tors. eta vs tors. theta energy: -156.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1680.149931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.149931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.149931 (E_RNA) where: Base-Base interactions energy: -1148.296 where: short stacking energy: -486.620 Base-Backbone interact. energy: -0.018 local terms energy: -531.835131 where: bonds (distance) C4'-P energy: -100.730 bonds (distance) P-C4' energy: -114.404 flat angles C4'-P-C4' energy: -128.864 flat angles P-C4'-P energy: -75.519 tors. eta vs tors. theta energy: -112.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1381.926539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.926539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.926539 (E_RNA) where: Base-Base interactions energy: -893.750 where: short stacking energy: -382.411 Base-Backbone interact. energy: -0.064 local terms energy: -488.112511 where: bonds (distance) C4'-P energy: -115.253 bonds (distance) P-C4' energy: -119.249 flat angles C4'-P-C4' energy: -125.331 flat angles P-C4'-P energy: -63.890 tors. eta vs tors. theta energy: -64.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -1074.363285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.363285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.363285 (E_RNA) where: Base-Base interactions energy: -661.955 where: short stacking energy: -298.221 Base-Backbone interact. energy: 5.089 local terms energy: -417.497542 where: bonds (distance) C4'-P energy: -100.097 bonds (distance) P-C4' energy: -117.201 flat angles C4'-P-C4' energy: -104.100 flat angles P-C4'-P energy: -60.904 tors. eta vs tors. theta energy: -35.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2639.794020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.794020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.794020 (E_RNA) where: Base-Base interactions energy: -1858.632 where: short stacking energy: -780.749 Base-Backbone interact. energy: -2.727 local terms energy: -778.434398 where: bonds (distance) C4'-P energy: -137.975 bonds (distance) P-C4' energy: -139.261 flat angles C4'-P-C4' energy: -161.435 flat angles P-C4'-P energy: -107.475 tors. eta vs tors. theta energy: -232.288 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: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2484.342549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.342549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.342549 (E_RNA) where: Base-Base interactions energy: -1748.745 where: short stacking energy: -722.379 Base-Backbone interact. energy: 0.682 local terms energy: -736.279768 where: bonds (distance) C4'-P energy: -119.727 bonds (distance) P-C4' energy: -145.659 flat angles C4'-P-C4' energy: -165.172 flat angles P-C4'-P energy: -97.968 tors. eta vs tors. theta energy: -207.752 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: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2370.940745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.940745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.940745 (E_RNA) where: Base-Base interactions energy: -1673.559 where: short stacking energy: -683.650 Base-Backbone interact. energy: -1.717 local terms energy: -695.665183 where: bonds (distance) C4'-P energy: -120.452 bonds (distance) P-C4' energy: -122.200 flat angles C4'-P-C4' energy: -149.992 flat angles P-C4'-P energy: -101.624 tors. eta vs tors. theta energy: -201.397 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: 1 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2281.530424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.530424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.530424 (E_RNA) where: Base-Base interactions energy: -1591.758 where: short stacking energy: -646.062 Base-Backbone interact. energy: -0.584 local terms energy: -689.188158 where: bonds (distance) C4'-P energy: -134.905 bonds (distance) P-C4' energy: -112.132 flat angles C4'-P-C4' energy: -142.589 flat angles P-C4'-P energy: -111.958 tors. eta vs tors. theta energy: -187.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2229.421236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.421236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.421236 (E_RNA) where: Base-Base interactions energy: -1565.442 where: short stacking energy: -652.989 Base-Backbone interact. energy: -2.636 local terms energy: -661.342811 where: bonds (distance) C4'-P energy: -111.242 bonds (distance) P-C4' energy: -118.300 flat angles C4'-P-C4' energy: -132.236 flat angles P-C4'-P energy: -109.208 tors. eta vs tors. theta energy: -190.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2064.377969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.377969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.377969 (E_RNA) where: Base-Base interactions energy: -1444.830 where: short stacking energy: -593.178 Base-Backbone interact. energy: 2.030 local terms energy: -621.577288 where: bonds (distance) C4'-P energy: -118.293 bonds (distance) P-C4' energy: -111.499 flat angles C4'-P-C4' energy: -142.299 flat angles P-C4'-P energy: -81.174 tors. eta vs tors. theta energy: -168.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1923.137822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.137822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.137822 (E_RNA) where: Base-Base interactions energy: -1311.249 where: short stacking energy: -550.955 Base-Backbone interact. energy: -2.028 local terms energy: -609.860757 where: bonds (distance) C4'-P energy: -109.806 bonds (distance) P-C4' energy: -120.486 flat angles C4'-P-C4' energy: -133.128 flat angles P-C4'-P energy: -82.225 tors. eta vs tors. theta energy: -164.216 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: 8, replica: 2 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1656.853448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.853448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.853448 (E_RNA) where: Base-Base interactions energy: -1089.056 where: short stacking energy: -465.500 Base-Backbone interact. energy: 2.883 local terms energy: -570.680409 where: bonds (distance) C4'-P energy: -106.673 bonds (distance) P-C4' energy: -129.092 flat angles C4'-P-C4' energy: -131.802 flat angles P-C4'-P energy: -95.658 tors. eta vs tors. theta energy: -107.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1344.755131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.755131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.755131 (E_RNA) where: Base-Base interactions energy: -886.209 where: short stacking energy: -368.303 Base-Backbone interact. energy: -0.675 local terms energy: -457.870810 where: bonds (distance) C4'-P energy: -116.386 bonds (distance) P-C4' energy: -108.256 flat angles C4'-P-C4' energy: -108.325 flat angles P-C4'-P energy: -60.636 tors. eta vs tors. theta energy: -64.267 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: 124 Temperature: 1.350000 Total energy: -1127.813750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.813750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.813750 (E_RNA) where: Base-Base interactions energy: -723.640 where: short stacking energy: -317.303 Base-Backbone interact. energy: -0.519 local terms energy: -403.655035 where: bonds (distance) C4'-P energy: -107.309 bonds (distance) P-C4' energy: -106.890 flat angles C4'-P-C4' energy: -85.482 flat angles P-C4'-P energy: -62.958 tors. eta vs tors. theta energy: -41.016 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: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2614.003689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.003689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.003689 (E_RNA) where: Base-Base interactions energy: -1846.509 where: short stacking energy: -748.780 Base-Backbone interact. energy: -2.757 local terms energy: -764.737548 where: bonds (distance) C4'-P energy: -138.237 bonds (distance) P-C4' energy: -126.946 flat angles C4'-P-C4' energy: -160.457 flat angles P-C4'-P energy: -107.580 tors. eta vs tors. theta energy: -231.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2498.786632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.786632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.786632 (E_RNA) where: Base-Base interactions energy: -1770.591 where: short stacking energy: -728.299 Base-Backbone interact. energy: -3.840 local terms energy: -724.355530 where: bonds (distance) C4'-P energy: -122.673 bonds (distance) P-C4' energy: -122.197 flat angles C4'-P-C4' energy: -156.696 flat angles P-C4'-P energy: -105.367 tors. eta vs tors. theta energy: -217.421 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: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2358.744599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.744599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.744599 (E_RNA) where: Base-Base interactions energy: -1655.084 where: short stacking energy: -669.157 Base-Backbone interact. energy: -2.031 local terms energy: -701.629732 where: bonds (distance) C4'-P energy: -127.363 bonds (distance) P-C4' energy: -120.112 flat angles C4'-P-C4' energy: -161.594 flat angles P-C4'-P energy: -106.307 tors. eta vs tors. theta energy: -186.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2286.010877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.010877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.010877 (E_RNA) where: Base-Base interactions energy: -1617.301 where: short stacking energy: -675.262 Base-Backbone interact. energy: -0.560 local terms energy: -668.149380 where: bonds (distance) C4'-P energy: -123.820 bonds (distance) P-C4' energy: -119.114 flat angles C4'-P-C4' energy: -141.848 flat angles P-C4'-P energy: -96.080 tors. eta vs tors. theta energy: -187.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2280.336328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.336328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.336328 (E_RNA) where: Base-Base interactions energy: -1575.204 where: short stacking energy: -687.519 Base-Backbone interact. energy: -0.867 local terms energy: -704.265336 where: bonds (distance) C4'-P energy: -126.810 bonds (distance) P-C4' energy: -109.710 flat angles C4'-P-C4' energy: -147.983 flat angles P-C4'-P energy: -102.345 tors. eta vs tors. theta energy: -217.417 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: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2080.920355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.920355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.920355 (E_RNA) where: Base-Base interactions energy: -1451.641 where: short stacking energy: -600.497 Base-Backbone interact. energy: -1.266 local terms energy: -628.013667 where: bonds (distance) C4'-P energy: -109.455 bonds (distance) P-C4' energy: -119.714 flat angles C4'-P-C4' energy: -140.139 flat angles P-C4'-P energy: -82.783 tors. eta vs tors. theta energy: -175.923 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: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1863.923575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.923575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.923575 (E_RNA) where: Base-Base interactions energy: -1244.202 where: short stacking energy: -528.201 Base-Backbone interact. energy: -1.782 local terms energy: -617.939004 where: bonds (distance) C4'-P energy: -119.193 bonds (distance) P-C4' energy: -132.776 flat angles C4'-P-C4' energy: -124.811 flat angles P-C4'-P energy: -91.026 tors. eta vs tors. theta energy: -150.133 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: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1553.025945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.025945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.025945 (E_RNA) where: Base-Base interactions energy: -1064.524 where: short stacking energy: -433.139 Base-Backbone interact. energy: 4.820 local terms energy: -493.322019 where: bonds (distance) C4'-P energy: -101.041 bonds (distance) P-C4' energy: -104.215 flat angles C4'-P-C4' energy: -115.160 flat angles P-C4'-P energy: -78.524 tors. eta vs tors. theta energy: -94.382 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: 4 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1279.806724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.806724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.806724 (E_RNA) where: Base-Base interactions energy: -812.735 where: short stacking energy: -336.369 Base-Backbone interact. energy: 4.184 local terms energy: -471.256414 where: bonds (distance) C4'-P energy: -125.713 bonds (distance) P-C4' energy: -129.803 flat angles C4'-P-C4' energy: -114.236 flat angles P-C4'-P energy: -54.260 tors. eta vs tors. theta energy: -47.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -1140.700407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.700407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.700407 (E_RNA) where: Base-Base interactions energy: -715.915 where: short stacking energy: -341.117 Base-Backbone interact. energy: -3.090 local terms energy: -421.694775 where: bonds (distance) C4'-P energy: -97.079 bonds (distance) P-C4' energy: -113.413 flat angles C4'-P-C4' energy: -97.379 flat angles P-C4'-P energy: -60.900 tors. eta vs tors. theta energy: -52.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2637.340533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.340533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.340533 (E_RNA) where: Base-Base interactions energy: -1860.611 where: short stacking energy: -764.045 Base-Backbone interact. energy: 0.785 local terms energy: -777.513987 where: bonds (distance) C4'-P energy: -127.603 bonds (distance) P-C4' energy: -150.806 flat angles C4'-P-C4' energy: -161.694 flat angles P-C4'-P energy: -106.074 tors. eta vs tors. theta energy: -231.337 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: 2, replica: 9 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2482.146193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.146193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.146193 (E_RNA) where: Base-Base interactions energy: -1751.395 where: short stacking energy: -726.801 Base-Backbone interact. energy: 1.312 local terms energy: -732.062884 where: bonds (distance) C4'-P energy: -141.553 bonds (distance) P-C4' energy: -124.422 flat angles C4'-P-C4' energy: -149.903 flat angles P-C4'-P energy: -103.543 tors. eta vs tors. theta energy: -212.642 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: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2389.214355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.214355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.214355 (E_RNA) where: Base-Base interactions energy: -1727.752 where: short stacking energy: -712.411 Base-Backbone interact. energy: 2.253 local terms energy: -663.715411 where: bonds (distance) C4'-P energy: -98.229 bonds (distance) P-C4' energy: -123.919 flat angles C4'-P-C4' energy: -149.182 flat angles P-C4'-P energy: -90.854 tors. eta vs tors. theta energy: -201.532 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: 1 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2312.868038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.868038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.868038 (E_RNA) where: Base-Base interactions energy: -1615.800 where: short stacking energy: -683.823 Base-Backbone interact. energy: -1.516 local terms energy: -695.551583 where: bonds (distance) C4'-P energy: -123.048 bonds (distance) P-C4' energy: -120.001 flat angles C4'-P-C4' energy: -156.699 flat angles P-C4'-P energy: -93.977 tors. eta vs tors. theta energy: -201.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2258.606177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.606177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.606177 (E_RNA) where: Base-Base interactions energy: -1575.371 where: short stacking energy: -676.334 Base-Backbone interact. energy: -1.313 local terms energy: -681.922363 where: bonds (distance) C4'-P energy: -108.563 bonds (distance) P-C4' energy: -133.926 flat angles C4'-P-C4' energy: -146.452 flat angles P-C4'-P energy: -89.298 tors. eta vs tors. theta energy: -203.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2117.331613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.331613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.331613 (E_RNA) where: Base-Base interactions energy: -1501.677 where: short stacking energy: -587.581 Base-Backbone interact. energy: -4.927 local terms energy: -610.727318 where: bonds (distance) C4'-P energy: -103.573 bonds (distance) P-C4' energy: -112.602 flat angles C4'-P-C4' energy: -137.252 flat angles P-C4'-P energy: -86.525 tors. eta vs tors. theta energy: -170.776 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: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1888.158146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.158146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.158146 (E_RNA) where: Base-Base interactions energy: -1306.102 where: short stacking energy: -556.715 Base-Backbone interact. energy: 2.126 local terms energy: -584.181562 where: bonds (distance) C4'-P energy: -109.660 bonds (distance) P-C4' energy: -109.828 flat angles C4'-P-C4' energy: -136.680 flat angles P-C4'-P energy: -77.281 tors. eta vs tors. theta energy: -150.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1503.239566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.239566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.239566 (E_RNA) where: Base-Base interactions energy: -988.789 where: short stacking energy: -428.440 Base-Backbone interact. energy: -3.075 local terms energy: -511.376242 where: bonds (distance) C4'-P energy: -102.847 bonds (distance) P-C4' energy: -129.747 flat angles C4'-P-C4' energy: -112.510 flat angles P-C4'-P energy: -73.382 tors. eta vs tors. theta energy: -92.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1198.052724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.052724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.052724 (E_RNA) where: Base-Base interactions energy: -757.316 where: short stacking energy: -331.752 Base-Backbone interact. energy: -3.207 local terms energy: -437.529383 where: bonds (distance) C4'-P energy: -101.452 bonds (distance) P-C4' energy: -90.467 flat angles C4'-P-C4' energy: -112.847 flat angles P-C4'-P energy: -80.293 tors. eta vs tors. theta energy: -52.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -1194.788428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.788428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.788428 (E_RNA) where: Base-Base interactions energy: -784.610 where: short stacking energy: -310.839 Base-Backbone interact. energy: 2.960 local terms energy: -413.139277 where: bonds (distance) C4'-P energy: -105.910 bonds (distance) P-C4' energy: -116.034 flat angles C4'-P-C4' energy: -92.222 flat angles P-C4'-P energy: -60.996 tors. eta vs tors. theta energy: -37.977 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: 1, replica: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2638.483527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.483527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.483527 (E_RNA) where: Base-Base interactions energy: -1872.240 where: short stacking energy: -765.371 Base-Backbone interact. energy: -1.791 local terms energy: -764.451935 where: bonds (distance) C4'-P energy: -135.555 bonds (distance) P-C4' energy: -127.941 flat angles C4'-P-C4' energy: -158.492 flat angles P-C4'-P energy: -117.620 tors. eta vs tors. theta energy: -224.844 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: 2, replica: 9 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2527.654957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.654957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.654957 (E_RNA) where: Base-Base interactions energy: -1779.188 where: short stacking energy: -717.382 Base-Backbone interact. energy: -0.261 local terms energy: -748.206283 where: bonds (distance) C4'-P energy: -135.384 bonds (distance) P-C4' energy: -132.867 flat angles C4'-P-C4' energy: -158.049 flat angles P-C4'-P energy: -103.036 tors. eta vs tors. theta energy: -218.871 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: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2398.619246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.619246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.619246 (E_RNA) where: Base-Base interactions energy: -1710.109 where: short stacking energy: -729.317 Base-Backbone interact. energy: -1.226 local terms energy: -687.283891 where: bonds (distance) C4'-P energy: -116.201 bonds (distance) P-C4' energy: -108.157 flat angles C4'-P-C4' energy: -143.185 flat angles P-C4'-P energy: -106.916 tors. eta vs tors. theta energy: -212.824 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: 1 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2297.511677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.511677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.511677 (E_RNA) where: Base-Base interactions energy: -1603.266 where: short stacking energy: -683.005 Base-Backbone interact. energy: -3.378 local terms energy: -690.868134 where: bonds (distance) C4'-P energy: -127.541 bonds (distance) P-C4' energy: -134.475 flat angles C4'-P-C4' energy: -147.510 flat angles P-C4'-P energy: -92.143 tors. eta vs tors. theta energy: -189.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2215.317468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.317468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.317468 (E_RNA) where: Base-Base interactions energy: -1561.069 where: short stacking energy: -655.440 Base-Backbone interact. energy: -0.725 local terms energy: -653.522535 where: bonds (distance) C4'-P energy: -119.602 bonds (distance) P-C4' energy: -104.659 flat angles C4'-P-C4' energy: -134.467 flat angles P-C4'-P energy: -89.216 tors. eta vs tors. theta energy: -205.579 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: 3 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2138.149413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.149413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.149413 (E_RNA) where: Base-Base interactions energy: -1514.223 where: short stacking energy: -624.756 Base-Backbone interact. energy: -0.846 local terms energy: -623.079813 where: bonds (distance) C4'-P energy: -100.928 bonds (distance) P-C4' energy: -127.064 flat angles C4'-P-C4' energy: -138.551 flat angles P-C4'-P energy: -87.568 tors. eta vs tors. theta energy: -168.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1899.403798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.403798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.403798 (E_RNA) where: Base-Base interactions energy: -1330.280 where: short stacking energy: -555.028 Base-Backbone interact. energy: -1.497 local terms energy: -567.626752 where: bonds (distance) C4'-P energy: -95.289 bonds (distance) P-C4' energy: -120.836 flat angles C4'-P-C4' energy: -128.166 flat angles P-C4'-P energy: -80.029 tors. eta vs tors. theta energy: -143.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1604.097166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.097166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.097166 (E_RNA) where: Base-Base interactions energy: -1077.152 where: short stacking energy: -491.976 Base-Backbone interact. energy: -1.508 local terms energy: -525.437426 where: bonds (distance) C4'-P energy: -85.889 bonds (distance) P-C4' energy: -114.612 flat angles C4'-P-C4' energy: -117.243 flat angles P-C4'-P energy: -92.584 tors. eta vs tors. theta energy: -115.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1246.959861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.959861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.959861 (E_RNA) where: Base-Base interactions energy: -776.947 where: short stacking energy: -355.352 Base-Backbone interact. energy: 3.730 local terms energy: -473.743162 where: bonds (distance) C4'-P energy: -120.614 bonds (distance) P-C4' energy: -120.895 flat angles C4'-P-C4' energy: -101.689 flat angles P-C4'-P energy: -65.736 tors. eta vs tors. theta energy: -64.809 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: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -1185.298479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.298479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.298479 (E_RNA) where: Base-Base interactions energy: -762.299 where: short stacking energy: -344.826 Base-Backbone interact. energy: -0.962 local terms energy: -422.037570 where: bonds (distance) C4'-P energy: -100.401 bonds (distance) P-C4' energy: -106.580 flat angles C4'-P-C4' energy: -99.748 flat angles P-C4'-P energy: -52.190 tors. eta vs tors. theta energy: -63.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2661.612994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.612994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.612994 (E_RNA) where: Base-Base interactions energy: -1894.937 where: short stacking energy: -782.388 Base-Backbone interact. energy: -4.491 local terms energy: -762.184749 where: bonds (distance) C4'-P energy: -139.482 bonds (distance) P-C4' energy: -127.815 flat angles C4'-P-C4' energy: -160.254 flat angles P-C4'-P energy: -105.893 tors. eta vs tors. theta energy: -228.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2537.304302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.304302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.304302 (E_RNA) where: Base-Base interactions energy: -1792.571 where: short stacking energy: -738.342 Base-Backbone interact. energy: -1.832 local terms energy: -742.901181 where: bonds (distance) C4'-P energy: -130.322 bonds (distance) P-C4' energy: -136.896 flat angles C4'-P-C4' energy: -159.027 flat angles P-C4'-P energy: -89.337 tors. eta vs tors. theta energy: -227.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2388.289457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.289457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.289457 (E_RNA) where: Base-Base interactions energy: -1691.285 where: short stacking energy: -693.027 Base-Backbone interact. energy: -0.951 local terms energy: -696.053987 where: bonds (distance) C4'-P energy: -119.817 bonds (distance) P-C4' energy: -127.187 flat angles C4'-P-C4' energy: -144.542 flat angles P-C4'-P energy: -104.775 tors. eta vs tors. theta energy: -199.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2308.013729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.013729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.013729 (E_RNA) where: Base-Base interactions energy: -1592.069 where: short stacking energy: -672.128 Base-Backbone interact. energy: 0.359 local terms energy: -716.303526 where: bonds (distance) C4'-P energy: -125.823 bonds (distance) P-C4' energy: -134.157 flat angles C4'-P-C4' energy: -156.025 flat angles P-C4'-P energy: -98.199 tors. eta vs tors. theta energy: -202.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2261.892725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.892725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.892725 (E_RNA) where: Base-Base interactions energy: -1565.982 where: short stacking energy: -671.199 Base-Backbone interact. energy: -2.498 local terms energy: -693.413199 where: bonds (distance) C4'-P energy: -112.055 bonds (distance) P-C4' energy: -126.855 flat angles C4'-P-C4' energy: -148.138 flat angles P-C4'-P energy: -111.665 tors. eta vs tors. theta energy: -194.700 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: 6, replica: 3 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2102.292640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.292640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.292640 (E_RNA) where: Base-Base interactions energy: -1458.913 where: short stacking energy: -588.256 Base-Backbone interact. energy: 0.057 local terms energy: -643.436260 where: bonds (distance) C4'-P energy: -121.987 bonds (distance) P-C4' energy: -127.294 flat angles C4'-P-C4' energy: -131.802 flat angles P-C4'-P energy: -87.709 tors. eta vs tors. theta energy: -174.644 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: 128 Temperature: 1.200000 Total energy: -1906.765151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.765151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.765151 (E_RNA) where: Base-Base interactions energy: -1318.000 where: short stacking energy: -563.944 Base-Backbone interact. energy: -2.903 local terms energy: -585.862303 where: bonds (distance) C4'-P energy: -118.449 bonds (distance) P-C4' energy: -103.507 flat angles C4'-P-C4' energy: -131.755 flat angles P-C4'-P energy: -77.229 tors. eta vs tors. theta energy: -154.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1515.331343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.331343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.331343 (E_RNA) where: Base-Base interactions energy: -985.143 where: short stacking energy: -462.547 Base-Backbone interact. energy: -0.624 local terms energy: -529.563695 where: bonds (distance) C4'-P energy: -106.549 bonds (distance) P-C4' energy: -127.055 flat angles C4'-P-C4' energy: -107.191 flat angles P-C4'-P energy: -73.500 tors. eta vs tors. theta energy: -115.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1213.863819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.863819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.863819 (E_RNA) where: Base-Base interactions energy: -766.764 where: short stacking energy: -380.819 Base-Backbone interact. energy: -0.115 local terms energy: -446.984954 where: bonds (distance) C4'-P energy: -101.756 bonds (distance) P-C4' energy: -110.720 flat angles C4'-P-C4' energy: -98.626 flat angles P-C4'-P energy: -63.834 tors. eta vs tors. theta energy: -72.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1215.822680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.822680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.822680 (E_RNA) where: Base-Base interactions energy: -782.603 where: short stacking energy: -337.348 Base-Backbone interact. energy: 2.105 local terms energy: -435.324928 where: bonds (distance) C4'-P energy: -103.742 bonds (distance) P-C4' energy: -115.816 flat angles C4'-P-C4' energy: -82.302 flat angles P-C4'-P energy: -68.324 tors. eta vs tors. theta energy: -65.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2620.601037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.601037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.601037 (E_RNA) where: Base-Base interactions energy: -1872.553 where: short stacking energy: -757.835 Base-Backbone interact. energy: 1.899 local terms energy: -749.947602 where: bonds (distance) C4'-P energy: -137.990 bonds (distance) P-C4' energy: -128.188 flat angles C4'-P-C4' energy: -153.575 flat angles P-C4'-P energy: -104.532 tors. eta vs tors. theta energy: -225.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2502.326160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.326160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.326160 (E_RNA) where: Base-Base interactions energy: -1771.876 where: short stacking energy: -725.636 Base-Backbone interact. energy: -0.305 local terms energy: -730.145336 where: bonds (distance) C4'-P energy: -126.996 bonds (distance) P-C4' energy: -128.917 flat angles C4'-P-C4' energy: -163.592 flat angles P-C4'-P energy: -100.601 tors. eta vs tors. theta energy: -210.040 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: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2394.825290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.825290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.825290 (E_RNA) where: Base-Base interactions energy: -1703.134 where: short stacking energy: -699.687 Base-Backbone interact. energy: -6.633 local terms energy: -685.058743 where: bonds (distance) C4'-P energy: -128.001 bonds (distance) P-C4' energy: -114.899 flat angles C4'-P-C4' energy: -143.727 flat angles P-C4'-P energy: -97.839 tors. eta vs tors. theta energy: -200.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2291.722725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.722725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.722725 (E_RNA) where: Base-Base interactions energy: -1605.089 where: short stacking energy: -671.028 Base-Backbone interact. energy: 2.647 local terms energy: -689.281017 where: bonds (distance) C4'-P energy: -127.984 bonds (distance) P-C4' energy: -117.799 flat angles C4'-P-C4' energy: -149.803 flat angles P-C4'-P energy: -90.153 tors. eta vs tors. theta energy: -203.542 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: 5 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2268.235005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.235005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.235005 (E_RNA) where: Base-Base interactions energy: -1594.640 where: short stacking energy: -680.151 Base-Backbone interact. energy: -0.513 local terms energy: -673.081726 where: bonds (distance) C4'-P energy: -113.266 bonds (distance) P-C4' energy: -105.730 flat angles C4'-P-C4' energy: -143.018 flat angles P-C4'-P energy: -98.219 tors. eta vs tors. theta energy: -212.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2106.283999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.283999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.283999 (E_RNA) where: Base-Base interactions energy: -1492.649 where: short stacking energy: -611.390 Base-Backbone interact. energy: -1.796 local terms energy: -611.839838 where: bonds (distance) C4'-P energy: -111.614 bonds (distance) P-C4' energy: -121.905 flat angles C4'-P-C4' energy: -125.216 flat angles P-C4'-P energy: -78.204 tors. eta vs tors. theta energy: -174.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1908.446462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.446462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.446462 (E_RNA) where: Base-Base interactions energy: -1319.844 where: short stacking energy: -551.330 Base-Backbone interact. energy: 2.965 local terms energy: -591.568192 where: bonds (distance) C4'-P energy: -111.780 bonds (distance) P-C4' energy: -112.915 flat angles C4'-P-C4' energy: -148.178 flat angles P-C4'-P energy: -79.425 tors. eta vs tors. theta energy: -139.270 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: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1465.720195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.720195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.720195 (E_RNA) where: Base-Base interactions energy: -945.422 where: short stacking energy: -430.973 Base-Backbone interact. energy: 1.018 local terms energy: -521.316971 where: bonds (distance) C4'-P energy: -117.329 bonds (distance) P-C4' energy: -98.203 flat angles C4'-P-C4' energy: -120.184 flat angles P-C4'-P energy: -84.042 tors. eta vs tors. theta energy: -101.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1313.300584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.300584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.300584 (E_RNA) where: Base-Base interactions energy: -828.913 where: short stacking energy: -383.110 Base-Backbone interact. energy: 2.726 local terms energy: -487.113457 where: bonds (distance) C4'-P energy: -101.682 bonds (distance) P-C4' energy: -121.631 flat angles C4'-P-C4' energy: -112.080 flat angles P-C4'-P energy: -71.041 tors. eta vs tors. theta energy: -80.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -1140.098352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.098352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.098352 (E_RNA) where: Base-Base interactions energy: -759.992 where: short stacking energy: -345.080 Base-Backbone interact. energy: 3.952 local terms energy: -384.058290 where: bonds (distance) C4'-P energy: -90.988 bonds (distance) P-C4' energy: -86.583 flat angles C4'-P-C4' energy: -109.297 flat angles P-C4'-P energy: -38.951 tors. eta vs tors. theta energy: -58.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2614.279032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.279032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.279032 (E_RNA) where: Base-Base interactions energy: -1860.791 where: short stacking energy: -770.454 Base-Backbone interact. energy: -0.182 local terms energy: -753.305633 where: bonds (distance) C4'-P energy: -127.816 bonds (distance) P-C4' energy: -141.141 flat angles C4'-P-C4' energy: -144.552 flat angles P-C4'-P energy: -109.136 tors. eta vs tors. theta energy: -230.661 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: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2484.286178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.286178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.286178 (E_RNA) where: Base-Base interactions energy: -1739.790 where: short stacking energy: -712.371 Base-Backbone interact. energy: -3.018 local terms energy: -741.478459 where: bonds (distance) C4'-P energy: -132.565 bonds (distance) P-C4' energy: -140.282 flat angles C4'-P-C4' energy: -148.971 flat angles P-C4'-P energy: -106.734 tors. eta vs tors. theta energy: -212.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2365.085651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.085651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.085651 (E_RNA) where: Base-Base interactions energy: -1665.839 where: short stacking energy: -702.515 Base-Backbone interact. energy: -3.026 local terms energy: -696.220602 where: bonds (distance) C4'-P energy: -118.079 bonds (distance) P-C4' energy: -137.602 flat angles C4'-P-C4' energy: -147.126 flat angles P-C4'-P energy: -88.840 tors. eta vs tors. theta energy: -204.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2293.843825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.843825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.843825 (E_RNA) where: Base-Base interactions energy: -1600.627 where: short stacking energy: -651.331 Base-Backbone interact. energy: -2.312 local terms energy: -690.905010 where: bonds (distance) C4'-P energy: -126.433 bonds (distance) P-C4' energy: -119.513 flat angles C4'-P-C4' energy: -150.382 flat angles P-C4'-P energy: -91.258 tors. eta vs tors. theta energy: -203.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2297.544832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.544832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.544832 (E_RNA) where: Base-Base interactions energy: -1596.856 where: short stacking energy: -659.913 Base-Backbone interact. energy: -2.645 local terms energy: -698.043654 where: bonds (distance) C4'-P energy: -116.552 bonds (distance) P-C4' energy: -127.010 flat angles C4'-P-C4' energy: -152.425 flat angles P-C4'-P energy: -95.120 tors. eta vs tors. theta energy: -206.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2129.007486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.007486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.007486 (E_RNA) where: Base-Base interactions energy: -1466.601 where: short stacking energy: -605.456 Base-Backbone interact. energy: -2.297 local terms energy: -660.109443 where: bonds (distance) C4'-P energy: -128.502 bonds (distance) P-C4' energy: -117.584 flat angles C4'-P-C4' energy: -155.800 flat angles P-C4'-P energy: -88.744 tors. eta vs tors. theta energy: -169.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1883.011233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.011233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.011233 (E_RNA) where: Base-Base interactions energy: -1292.507 where: short stacking energy: -578.899 Base-Backbone interact. energy: -2.634 local terms energy: -587.870432 where: bonds (distance) C4'-P energy: -107.698 bonds (distance) P-C4' energy: -116.984 flat angles C4'-P-C4' energy: -135.725 flat angles P-C4'-P energy: -85.957 tors. eta vs tors. theta energy: -141.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1545.810969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.810969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.810969 (E_RNA) where: Base-Base interactions energy: -1023.875 where: short stacking energy: -446.704 Base-Backbone interact. energy: 4.098 local terms energy: -526.034233 where: bonds (distance) C4'-P energy: -111.951 bonds (distance) P-C4' energy: -123.659 flat angles C4'-P-C4' energy: -117.167 flat angles P-C4'-P energy: -61.848 tors. eta vs tors. theta energy: -111.410 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: 130 Temperature: 1.300000 Total energy: -1274.148852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.148852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.148852 (E_RNA) where: Base-Base interactions energy: -828.220 where: short stacking energy: -371.637 Base-Backbone interact. energy: 5.337 local terms energy: -451.265919 where: bonds (distance) C4'-P energy: -105.411 bonds (distance) P-C4' energy: -113.288 flat angles C4'-P-C4' energy: -99.922 flat angles P-C4'-P energy: -63.151 tors. eta vs tors. theta energy: -69.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -1185.881193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.881193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.881193 (E_RNA) where: Base-Base interactions energy: -760.518 where: short stacking energy: -324.374 Base-Backbone interact. energy: 6.125 local terms energy: -431.488485 where: bonds (distance) C4'-P energy: -100.497 bonds (distance) P-C4' energy: -120.539 flat angles C4'-P-C4' energy: -112.896 flat angles P-C4'-P energy: -54.076 tors. eta vs tors. theta energy: -43.481 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: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2618.204847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.204847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.204847 (E_RNA) where: Base-Base interactions energy: -1839.701 where: short stacking energy: -761.887 Base-Backbone interact. energy: -2.354 local terms energy: -776.150559 where: bonds (distance) C4'-P energy: -125.123 bonds (distance) P-C4' energy: -143.383 flat angles C4'-P-C4' energy: -167.353 flat angles P-C4'-P energy: -111.678 tors. eta vs tors. theta energy: -228.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2501.699978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.699978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.699978 (E_RNA) where: Base-Base interactions energy: -1788.190 where: short stacking energy: -729.079 Base-Backbone interact. energy: 1.430 local terms energy: -714.940245 where: bonds (distance) C4'-P energy: -126.869 bonds (distance) P-C4' energy: -120.250 flat angles C4'-P-C4' energy: -149.558 flat angles P-C4'-P energy: -106.440 tors. eta vs tors. theta energy: -211.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2368.482397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.482397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.482397 (E_RNA) where: Base-Base interactions energy: -1674.274 where: short stacking energy: -703.522 Base-Backbone interact. energy: -2.144 local terms energy: -692.065058 where: bonds (distance) C4'-P energy: -112.537 bonds (distance) P-C4' energy: -127.503 flat angles C4'-P-C4' energy: -155.625 flat angles P-C4'-P energy: -94.677 tors. eta vs tors. theta energy: -201.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2325.892464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.892464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.892464 (E_RNA) where: Base-Base interactions energy: -1632.781 where: short stacking energy: -698.793 Base-Backbone interact. energy: -3.704 local terms energy: -689.407868 where: bonds (distance) C4'-P energy: -118.406 bonds (distance) P-C4' energy: -130.940 flat angles C4'-P-C4' energy: -148.290 flat angles P-C4'-P energy: -88.278 tors. eta vs tors. theta energy: -203.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2253.989344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.989344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.989344 (E_RNA) where: Base-Base interactions energy: -1580.042 where: short stacking energy: -663.997 Base-Backbone interact. energy: 3.924 local terms energy: -677.871814 where: bonds (distance) C4'-P energy: -126.863 bonds (distance) P-C4' energy: -117.978 flat angles C4'-P-C4' energy: -139.848 flat angles P-C4'-P energy: -91.456 tors. eta vs tors. theta energy: -201.727 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: 6, replica: 3 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2045.381302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.381302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.381302 (E_RNA) where: Base-Base interactions energy: -1422.278 where: short stacking energy: -580.262 Base-Backbone interact. energy: 3.810 local terms energy: -626.913243 where: bonds (distance) C4'-P energy: -108.620 bonds (distance) P-C4' energy: -122.822 flat angles C4'-P-C4' energy: -141.310 flat angles P-C4'-P energy: -87.105 tors. eta vs tors. theta energy: -167.056 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: 7, replica: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1907.405586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.405586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.405586 (E_RNA) where: Base-Base interactions energy: -1325.556 where: short stacking energy: -571.184 Base-Backbone interact. energy: 0.047 local terms energy: -581.896372 where: bonds (distance) C4'-P energy: -108.227 bonds (distance) P-C4' energy: -113.734 flat angles C4'-P-C4' energy: -135.465 flat angles P-C4'-P energy: -64.817 tors. eta vs tors. theta energy: -159.654 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: 131 Temperature: 1.250000 Total energy: -1563.449615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.449615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.449615 (E_RNA) where: Base-Base interactions energy: -1066.926 where: short stacking energy: -431.898 Base-Backbone interact. energy: 0.302 local terms energy: -496.825290 where: bonds (distance) C4'-P energy: -98.991 bonds (distance) P-C4' energy: -97.217 flat angles C4'-P-C4' energy: -121.469 flat angles P-C4'-P energy: -80.842 tors. eta vs tors. theta energy: -98.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1287.482981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.482981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.482981 (E_RNA) where: Base-Base interactions energy: -851.400 where: short stacking energy: -360.938 Base-Backbone interact. energy: 2.400 local terms energy: -438.483272 where: bonds (distance) C4'-P energy: -94.781 bonds (distance) P-C4' energy: -105.416 flat angles C4'-P-C4' energy: -107.356 flat angles P-C4'-P energy: -72.054 tors. eta vs tors. theta energy: -58.876 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: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -1244.923489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.923489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.923489 (E_RNA) where: Base-Base interactions energy: -821.957 where: short stacking energy: -351.758 Base-Backbone interact. energy: -0.405 local terms energy: -422.561341 where: bonds (distance) C4'-P energy: -88.649 bonds (distance) P-C4' energy: -113.997 flat angles C4'-P-C4' energy: -98.625 flat angles P-C4'-P energy: -61.373 tors. eta vs tors. theta energy: -59.917 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: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2624.273358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.273358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.273358 (E_RNA) where: Base-Base interactions energy: -1859.238 where: short stacking energy: -768.996 Base-Backbone interact. energy: -1.961 local terms energy: -763.074813 where: bonds (distance) C4'-P energy: -126.702 bonds (distance) P-C4' energy: -133.507 flat angles C4'-P-C4' energy: -161.906 flat angles P-C4'-P energy: -110.938 tors. eta vs tors. theta energy: -230.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2510.115450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.115450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.115450 (E_RNA) where: Base-Base interactions energy: -1767.943 where: short stacking energy: -725.438 Base-Backbone interact. energy: -0.713 local terms energy: -741.459381 where: bonds (distance) C4'-P energy: -131.659 bonds (distance) P-C4' energy: -134.896 flat angles C4'-P-C4' energy: -165.008 flat angles P-C4'-P energy: -101.802 tors. eta vs tors. theta energy: -208.094 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: 7 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2381.919283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.919283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.919283 (E_RNA) where: Base-Base interactions energy: -1669.802 where: short stacking energy: -692.676 Base-Backbone interact. energy: -1.066 local terms energy: -711.051643 where: bonds (distance) C4'-P energy: -118.293 bonds (distance) P-C4' energy: -137.292 flat angles C4'-P-C4' energy: -145.724 flat angles P-C4'-P energy: -98.172 tors. eta vs tors. theta energy: -211.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2321.759681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.759681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.759681 (E_RNA) where: Base-Base interactions energy: -1625.576 where: short stacking energy: -706.087 Base-Backbone interact. energy: -0.554 local terms energy: -695.629984 where: bonds (distance) C4'-P energy: -121.890 bonds (distance) P-C4' energy: -128.311 flat angles C4'-P-C4' energy: -142.666 flat angles P-C4'-P energy: -101.327 tors. eta vs tors. theta energy: -201.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2230.977072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.977072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.977072 (E_RNA) where: Base-Base interactions energy: -1547.004 where: short stacking energy: -652.592 Base-Backbone interact. energy: -1.545 local terms energy: -682.428227 where: bonds (distance) C4'-P energy: -118.123 bonds (distance) P-C4' energy: -130.931 flat angles C4'-P-C4' energy: -146.079 flat angles P-C4'-P energy: -100.661 tors. eta vs tors. theta energy: -186.633 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: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2069.779989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.779989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.779989 (E_RNA) where: Base-Base interactions energy: -1412.116 where: short stacking energy: -588.970 Base-Backbone interact. energy: -0.135 local terms energy: -657.528671 where: bonds (distance) C4'-P energy: -118.726 bonds (distance) P-C4' energy: -125.976 flat angles C4'-P-C4' energy: -133.474 flat angles P-C4'-P energy: -100.741 tors. eta vs tors. theta energy: -178.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1893.132068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.132068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.132068 (E_RNA) where: Base-Base interactions energy: -1294.227 where: short stacking energy: -550.804 Base-Backbone interact. energy: 1.407 local terms energy: -600.312335 where: bonds (distance) C4'-P energy: -109.833 bonds (distance) P-C4' energy: -117.584 flat angles C4'-P-C4' energy: -143.552 flat angles P-C4'-P energy: -87.236 tors. eta vs tors. theta energy: -142.107 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: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1579.191719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.191719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.191719 (E_RNA) where: Base-Base interactions energy: -1039.029 where: short stacking energy: -450.270 Base-Backbone interact. energy: 5.552 local terms energy: -545.714818 where: bonds (distance) C4'-P energy: -112.334 bonds (distance) P-C4' energy: -115.720 flat angles C4'-P-C4' energy: -124.674 flat angles P-C4'-P energy: -79.666 tors. eta vs tors. theta energy: -113.320 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: 132 Temperature: 1.300000 Total energy: -1269.562082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.562082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.562082 (E_RNA) where: Base-Base interactions energy: -820.151 where: short stacking energy: -378.710 Base-Backbone interact. energy: 0.154 local terms energy: -449.565779 where: bonds (distance) C4'-P energy: -105.786 bonds (distance) P-C4' energy: -98.095 flat angles C4'-P-C4' energy: -113.920 flat angles P-C4'-P energy: -78.123 tors. eta vs tors. theta energy: -53.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -1191.531340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.531340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.531340 (E_RNA) where: Base-Base interactions energy: -726.048 where: short stacking energy: -326.572 Base-Backbone interact. energy: -0.721 local terms energy: -464.762171 where: bonds (distance) C4'-P energy: -116.443 bonds (distance) P-C4' energy: -107.595 flat angles C4'-P-C4' energy: -119.892 flat angles P-C4'-P energy: -65.809 tors. eta vs tors. theta energy: -55.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2619.521130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.521130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.521130 (E_RNA) where: Base-Base interactions energy: -1862.914 where: short stacking energy: -765.077 Base-Backbone interact. energy: -1.543 local terms energy: -755.063958 where: bonds (distance) C4'-P energy: -133.208 bonds (distance) P-C4' energy: -143.190 flat angles C4'-P-C4' energy: -154.550 flat angles P-C4'-P energy: -99.593 tors. eta vs tors. theta energy: -224.523 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: 133 Temperature: 0.950000 Total energy: -2536.879698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.879698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.879698 (E_RNA) where: Base-Base interactions energy: -1809.911 where: short stacking energy: -726.937 Base-Backbone interact. energy: 0.935 local terms energy: -727.904288 where: bonds (distance) C4'-P energy: -124.207 bonds (distance) P-C4' energy: -133.673 flat angles C4'-P-C4' energy: -160.557 flat angles P-C4'-P energy: -92.372 tors. eta vs tors. theta energy: -217.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2376.415490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.415490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.415490 (E_RNA) where: Base-Base interactions energy: -1677.973 where: short stacking energy: -693.034 Base-Backbone interact. energy: -2.255 local terms energy: -696.187372 where: bonds (distance) C4'-P energy: -134.927 bonds (distance) P-C4' energy: -114.820 flat angles C4'-P-C4' energy: -145.909 flat angles P-C4'-P energy: -103.837 tors. eta vs tors. theta energy: -196.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2357.817246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.817246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.817246 (E_RNA) where: Base-Base interactions energy: -1668.986 where: short stacking energy: -697.885 Base-Backbone interact. energy: -3.035 local terms energy: -685.796220 where: bonds (distance) C4'-P energy: -122.717 bonds (distance) P-C4' energy: -111.455 flat angles C4'-P-C4' energy: -151.798 flat angles P-C4'-P energy: -90.871 tors. eta vs tors. theta energy: -208.954 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: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2228.617651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.617651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.617651 (E_RNA) where: Base-Base interactions energy: -1551.802 where: short stacking energy: -619.671 Base-Backbone interact. energy: 0.878 local terms energy: -677.694457 where: bonds (distance) C4'-P energy: -134.494 bonds (distance) P-C4' energy: -123.898 flat angles C4'-P-C4' energy: -141.109 flat angles P-C4'-P energy: -94.853 tors. eta vs tors. theta energy: -183.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1955.149026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.149026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.149026 (E_RNA) where: Base-Base interactions energy: -1365.204 where: short stacking energy: -560.358 Base-Backbone interact. energy: -3.659 local terms energy: -586.285557 where: bonds (distance) C4'-P energy: -103.467 bonds (distance) P-C4' energy: -121.063 flat angles C4'-P-C4' energy: -131.007 flat angles P-C4'-P energy: -75.496 tors. eta vs tors. theta energy: -155.253 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: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1884.822948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.822948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.822948 (E_RNA) where: Base-Base interactions energy: -1337.842 where: short stacking energy: -547.280 Base-Backbone interact. energy: -0.991 local terms energy: -545.990021 where: bonds (distance) C4'-P energy: -94.743 bonds (distance) P-C4' energy: -101.690 flat angles C4'-P-C4' energy: -121.593 flat angles P-C4'-P energy: -75.718 tors. eta vs tors. theta energy: -152.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1691.131330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.131330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.131330 (E_RNA) where: Base-Base interactions energy: -1152.801 where: short stacking energy: -483.665 Base-Backbone interact. energy: -0.755 local terms energy: -537.575495 where: bonds (distance) C4'-P energy: -104.180 bonds (distance) P-C4' energy: -117.995 flat angles C4'-P-C4' energy: -121.926 flat angles P-C4'-P energy: -78.813 tors. eta vs tors. theta energy: -114.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1302.600659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.600659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.600659 (E_RNA) where: Base-Base interactions energy: -849.294 where: short stacking energy: -370.841 Base-Backbone interact. energy: 1.544 local terms energy: -454.850530 where: bonds (distance) C4'-P energy: -117.060 bonds (distance) P-C4' energy: -119.508 flat angles C4'-P-C4' energy: -103.239 flat angles P-C4'-P energy: -61.027 tors. eta vs tors. theta energy: -54.017 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: 133 Temperature: 1.350000 Total energy: -1138.355524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.355524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.355524 (E_RNA) where: Base-Base interactions energy: -723.639 where: short stacking energy: -320.698 Base-Backbone interact. energy: 6.637 local terms energy: -421.353535 where: bonds (distance) C4'-P energy: -108.871 bonds (distance) P-C4' energy: -92.212 flat angles C4'-P-C4' energy: -106.028 flat angles P-C4'-P energy: -63.862 tors. eta vs tors. theta energy: -50.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2614.046118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.046118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.046118 (E_RNA) where: Base-Base interactions energy: -1848.867 where: short stacking energy: -752.040 Base-Backbone interact. energy: -2.364 local terms energy: -762.815709 where: bonds (distance) C4'-P energy: -130.974 bonds (distance) P-C4' energy: -134.654 flat angles C4'-P-C4' energy: -161.693 flat angles P-C4'-P energy: -110.233 tors. eta vs tors. theta energy: -225.262 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: 134 Temperature: 0.950000 Total energy: -2526.927175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.927175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.927175 (E_RNA) where: Base-Base interactions energy: -1775.164 where: short stacking energy: -735.505 Base-Backbone interact. energy: -0.077 local terms energy: -751.686400 where: bonds (distance) C4'-P energy: -134.530 bonds (distance) P-C4' energy: -133.520 flat angles C4'-P-C4' energy: -155.102 flat angles P-C4'-P energy: -99.913 tors. eta vs tors. theta energy: -228.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2364.921909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.921909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.921909 (E_RNA) where: Base-Base interactions energy: -1695.548 where: short stacking energy: -699.461 Base-Backbone interact. energy: -2.517 local terms energy: -666.856557 where: bonds (distance) C4'-P energy: -114.049 bonds (distance) P-C4' energy: -127.145 flat angles C4'-P-C4' energy: -131.883 flat angles P-C4'-P energy: -88.521 tors. eta vs tors. theta energy: -205.258 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: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2348.632459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.632459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.632459 (E_RNA) where: Base-Base interactions energy: -1630.441 where: short stacking energy: -725.432 Base-Backbone interact. energy: -1.994 local terms energy: -716.197505 where: bonds (distance) C4'-P energy: -126.288 bonds (distance) P-C4' energy: -119.425 flat angles C4'-P-C4' energy: -141.700 flat angles P-C4'-P energy: -99.384 tors. eta vs tors. theta energy: -229.399 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: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2213.074890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.074890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.074890 (E_RNA) where: Base-Base interactions energy: -1570.916 where: short stacking energy: -658.477 Base-Backbone interact. energy: 0.787 local terms energy: -642.946075 where: bonds (distance) C4'-P energy: -123.833 bonds (distance) P-C4' energy: -116.343 flat angles C4'-P-C4' energy: -135.233 flat angles P-C4'-P energy: -83.379 tors. eta vs tors. theta energy: -184.157 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: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2028.373533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.373533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.373533 (E_RNA) where: Base-Base interactions energy: -1416.849 where: short stacking energy: -570.263 Base-Backbone interact. energy: -1.856 local terms energy: -609.668116 where: bonds (distance) C4'-P energy: -115.412 bonds (distance) P-C4' energy: -123.423 flat angles C4'-P-C4' energy: -134.996 flat angles P-C4'-P energy: -75.520 tors. eta vs tors. theta energy: -160.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1895.965898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.965898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.965898 (E_RNA) where: Base-Base interactions energy: -1314.920 where: short stacking energy: -566.307 Base-Backbone interact. energy: 0.955 local terms energy: -582.001328 where: bonds (distance) C4'-P energy: -119.964 bonds (distance) P-C4' energy: -116.457 flat angles C4'-P-C4' energy: -132.363 flat angles P-C4'-P energy: -64.749 tors. eta vs tors. theta energy: -148.468 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: 2 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1648.512938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.512938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.512938 (E_RNA) where: Base-Base interactions energy: -1129.064 where: short stacking energy: -469.189 Base-Backbone interact. energy: -3.535 local terms energy: -515.913978 where: bonds (distance) C4'-P energy: -109.495 bonds (distance) P-C4' energy: -98.183 flat angles C4'-P-C4' energy: -119.956 flat angles P-C4'-P energy: -82.124 tors. eta vs tors. theta energy: -106.155 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: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1318.199957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.199957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.199957 (E_RNA) where: Base-Base interactions energy: -823.079 where: short stacking energy: -366.122 Base-Backbone interact. energy: -2.257 local terms energy: -492.863663 where: bonds (distance) C4'-P energy: -120.455 bonds (distance) P-C4' energy: -117.060 flat angles C4'-P-C4' energy: -115.390 flat angles P-C4'-P energy: -68.310 tors. eta vs tors. theta energy: -71.648 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: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -1149.707086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.707086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.707086 (E_RNA) where: Base-Base interactions energy: -690.261 where: short stacking energy: -315.683 Base-Backbone interact. energy: -2.806 local terms energy: -456.639869 where: bonds (distance) C4'-P energy: -115.606 bonds (distance) P-C4' energy: -113.334 flat angles C4'-P-C4' energy: -116.145 flat angles P-C4'-P energy: -62.824 tors. eta vs tors. theta energy: -48.731 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: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2621.537244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.537244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.537244 (E_RNA) where: Base-Base interactions energy: -1854.053 where: short stacking energy: -761.364 Base-Backbone interact. energy: -2.093 local terms energy: -765.391336 where: bonds (distance) C4'-P energy: -128.713 bonds (distance) P-C4' energy: -146.589 flat angles C4'-P-C4' energy: -153.632 flat angles P-C4'-P energy: -110.604 tors. eta vs tors. theta energy: -225.853 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: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2532.509075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.509075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.509075 (E_RNA) where: Base-Base interactions energy: -1790.810 where: short stacking energy: -752.632 Base-Backbone interact. energy: 1.028 local terms energy: -742.726848 where: bonds (distance) C4'-P energy: -137.497 bonds (distance) P-C4' energy: -115.902 flat angles C4'-P-C4' energy: -159.496 flat angles P-C4'-P energy: -112.104 tors. eta vs tors. theta energy: -217.729 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: 7 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2384.394474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.394474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.394474 (E_RNA) where: Base-Base interactions energy: -1672.165 where: short stacking energy: -698.541 Base-Backbone interact. energy: 0.506 local terms energy: -712.735206 where: bonds (distance) C4'-P energy: -117.956 bonds (distance) P-C4' energy: -132.457 flat angles C4'-P-C4' energy: -152.261 flat angles P-C4'-P energy: -102.104 tors. eta vs tors. theta energy: -207.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2297.102790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.102790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.102790 (E_RNA) where: Base-Base interactions energy: -1599.931 where: short stacking energy: -678.576 Base-Backbone interact. energy: -3.762 local terms energy: -693.409959 where: bonds (distance) C4'-P energy: -113.213 bonds (distance) P-C4' energy: -126.072 flat angles C4'-P-C4' energy: -148.804 flat angles P-C4'-P energy: -95.990 tors. eta vs tors. theta energy: -209.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2183.808705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.808705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.808705 (E_RNA) where: Base-Base interactions energy: -1540.702 where: short stacking energy: -653.039 Base-Backbone interact. energy: 3.654 local terms energy: -646.760797 where: bonds (distance) C4'-P energy: -114.945 bonds (distance) P-C4' energy: -125.188 flat angles C4'-P-C4' energy: -136.356 flat angles P-C4'-P energy: -87.605 tors. eta vs tors. theta energy: -182.666 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: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2042.543720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.543720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.543720 (E_RNA) where: Base-Base interactions energy: -1413.692 where: short stacking energy: -588.871 Base-Backbone interact. energy: 1.446 local terms energy: -630.298453 where: bonds (distance) C4'-P energy: -134.010 bonds (distance) P-C4' energy: -114.959 flat angles C4'-P-C4' energy: -138.876 flat angles P-C4'-P energy: -81.954 tors. eta vs tors. theta energy: -160.499 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: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1925.150572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.150572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.150572 (E_RNA) where: Base-Base interactions energy: -1354.179 where: short stacking energy: -564.325 Base-Backbone interact. energy: -0.337 local terms energy: -570.634203 where: bonds (distance) C4'-P energy: -100.922 bonds (distance) P-C4' energy: -107.983 flat angles C4'-P-C4' energy: -129.836 flat angles P-C4'-P energy: -67.783 tors. eta vs tors. theta energy: -164.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1717.883857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.883857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.883857 (E_RNA) where: Base-Base interactions energy: -1153.453 where: short stacking energy: -478.869 Base-Backbone interact. energy: 3.651 local terms energy: -568.082013 where: bonds (distance) C4'-P energy: -110.440 bonds (distance) P-C4' energy: -112.655 flat angles C4'-P-C4' energy: -120.188 flat angles P-C4'-P energy: -102.488 tors. eta vs tors. theta energy: -122.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1297.470145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.470145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.470145 (E_RNA) where: Base-Base interactions energy: -856.550 where: short stacking energy: -360.202 Base-Backbone interact. energy: -1.078 local terms energy: -439.842223 where: bonds (distance) C4'-P energy: -118.616 bonds (distance) P-C4' energy: -96.491 flat angles C4'-P-C4' energy: -104.007 flat angles P-C4'-P energy: -66.285 tors. eta vs tors. theta energy: -54.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -1203.506628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.506628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.506628 (E_RNA) where: Base-Base interactions energy: -752.620 where: short stacking energy: -324.496 Base-Backbone interact. energy: 3.899 local terms energy: -454.784919 where: bonds (distance) C4'-P energy: -87.587 bonds (distance) P-C4' energy: -118.451 flat angles C4'-P-C4' energy: -118.001 flat angles P-C4'-P energy: -76.089 tors. eta vs tors. theta energy: -54.657 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: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2635.339101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.339101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.339101 (E_RNA) where: Base-Base interactions energy: -1883.806 where: short stacking energy: -764.696 Base-Backbone interact. energy: -0.905 local terms energy: -750.627567 where: bonds (distance) C4'-P energy: -125.928 bonds (distance) P-C4' energy: -140.125 flat angles C4'-P-C4' energy: -162.952 flat angles P-C4'-P energy: -98.546 tors. eta vs tors. theta energy: -223.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2543.592119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.592119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.592119 (E_RNA) where: Base-Base interactions energy: -1802.262 where: short stacking energy: -718.699 Base-Backbone interact. energy: -1.952 local terms energy: -739.378095 where: bonds (distance) C4'-P energy: -136.476 bonds (distance) P-C4' energy: -126.764 flat angles C4'-P-C4' energy: -155.603 flat angles P-C4'-P energy: -105.376 tors. eta vs tors. theta energy: -215.160 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: 7 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2362.454769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.454769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.454769 (E_RNA) where: Base-Base interactions energy: -1662.306 where: short stacking energy: -709.439 Base-Backbone interact. energy: -1.026 local terms energy: -699.122292 where: bonds (distance) C4'-P energy: -130.681 bonds (distance) P-C4' energy: -110.399 flat angles C4'-P-C4' energy: -150.390 flat angles P-C4'-P energy: -91.644 tors. eta vs tors. theta energy: -216.009 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: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2255.382254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.382254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.382254 (E_RNA) where: Base-Base interactions energy: -1567.235 where: short stacking energy: -662.961 Base-Backbone interact. energy: 0.340 local terms energy: -688.487841 where: bonds (distance) C4'-P energy: -127.328 bonds (distance) P-C4' energy: -115.837 flat angles C4'-P-C4' energy: -145.581 flat angles P-C4'-P energy: -99.871 tors. eta vs tors. theta energy: -199.872 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: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2219.411527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.411527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.411527 (E_RNA) where: Base-Base interactions energy: -1562.637 where: short stacking energy: -656.939 Base-Backbone interact. energy: -0.872 local terms energy: -655.902785 where: bonds (distance) C4'-P energy: -120.944 bonds (distance) P-C4' energy: -123.166 flat angles C4'-P-C4' energy: -134.420 flat angles P-C4'-P energy: -80.269 tors. eta vs tors. theta energy: -197.104 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: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1994.569471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.569471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.569471 (E_RNA) where: Base-Base interactions energy: -1432.621 where: short stacking energy: -588.075 Base-Backbone interact. energy: 0.359 local terms energy: -562.307431 where: bonds (distance) C4'-P energy: -97.952 bonds (distance) P-C4' energy: -96.970 flat angles C4'-P-C4' energy: -135.005 flat angles P-C4'-P energy: -72.346 tors. eta vs tors. theta energy: -160.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1888.218679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.218679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.218679 (E_RNA) where: Base-Base interactions energy: -1291.664 where: short stacking energy: -545.398 Base-Backbone interact. energy: 0.710 local terms energy: -597.264646 where: bonds (distance) C4'-P energy: -137.026 bonds (distance) P-C4' energy: -116.056 flat angles C4'-P-C4' energy: -134.910 flat angles P-C4'-P energy: -69.335 tors. eta vs tors. theta energy: -139.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1687.849827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.849827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.849827 (E_RNA) where: Base-Base interactions energy: -1159.782 where: short stacking energy: -485.005 Base-Backbone interact. energy: 2.850 local terms energy: -530.917789 where: bonds (distance) C4'-P energy: -114.681 bonds (distance) P-C4' energy: -109.236 flat angles C4'-P-C4' energy: -116.726 flat angles P-C4'-P energy: -66.717 tors. eta vs tors. theta energy: -123.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1252.605302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.605302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.605302 (E_RNA) where: Base-Base interactions energy: -790.893 where: short stacking energy: -357.618 Base-Backbone interact. energy: -2.617 local terms energy: -459.095514 where: bonds (distance) C4'-P energy: -105.362 bonds (distance) P-C4' energy: -119.986 flat angles C4'-P-C4' energy: -112.847 flat angles P-C4'-P energy: -63.241 tors. eta vs tors. theta energy: -57.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -1193.539659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.539659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.539659 (E_RNA) where: Base-Base interactions energy: -753.822 where: short stacking energy: -332.742 Base-Backbone interact. energy: -4.613 local terms energy: -435.104473 where: bonds (distance) C4'-P energy: -77.582 bonds (distance) P-C4' energy: -111.350 flat angles C4'-P-C4' energy: -129.091 flat angles P-C4'-P energy: -64.666 tors. eta vs tors. theta energy: -52.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2605.838007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.838007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.838007 (E_RNA) where: Base-Base interactions energy: -1828.572 where: short stacking energy: -736.291 Base-Backbone interact. energy: -1.277 local terms energy: -775.988447 where: bonds (distance) C4'-P energy: -143.894 bonds (distance) P-C4' energy: -125.124 flat angles C4'-P-C4' energy: -168.919 flat angles P-C4'-P energy: -101.414 tors. eta vs tors. theta energy: -236.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2506.067527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.067527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.067527 (E_RNA) where: Base-Base interactions energy: -1770.439 where: short stacking energy: -716.032 Base-Backbone interact. energy: -1.791 local terms energy: -733.837187 where: bonds (distance) C4'-P energy: -136.749 bonds (distance) P-C4' energy: -124.420 flat angles C4'-P-C4' energy: -152.810 flat angles P-C4'-P energy: -106.547 tors. eta vs tors. theta energy: -213.311 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: 7 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2391.565395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.565395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.565395 (E_RNA) where: Base-Base interactions energy: -1691.240 where: short stacking energy: -711.606 Base-Backbone interact. energy: -2.103 local terms energy: -698.222020 where: bonds (distance) C4'-P energy: -122.327 bonds (distance) P-C4' energy: -131.358 flat angles C4'-P-C4' energy: -133.333 flat angles P-C4'-P energy: -100.775 tors. eta vs tors. theta energy: -210.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2288.586184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.586184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.586184 (E_RNA) where: Base-Base interactions energy: -1596.222 where: short stacking energy: -662.401 Base-Backbone interact. energy: 0.267 local terms energy: -692.631538 where: bonds (distance) C4'-P energy: -128.365 bonds (distance) P-C4' energy: -133.550 flat angles C4'-P-C4' energy: -136.918 flat angles P-C4'-P energy: -94.517 tors. eta vs tors. theta energy: -199.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2261.537952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.537952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.537952 (E_RNA) where: Base-Base interactions energy: -1578.098 where: short stacking energy: -700.386 Base-Backbone interact. energy: -1.480 local terms energy: -681.960485 where: bonds (distance) C4'-P energy: -116.124 bonds (distance) P-C4' energy: -121.020 flat angles C4'-P-C4' energy: -135.343 flat angles P-C4'-P energy: -98.887 tors. eta vs tors. theta energy: -210.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1986.902591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.902591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.902591 (E_RNA) where: Base-Base interactions energy: -1373.015 where: short stacking energy: -527.479 Base-Backbone interact. energy: -1.568 local terms energy: -612.319964 where: bonds (distance) C4'-P energy: -120.569 bonds (distance) P-C4' energy: -133.904 flat angles C4'-P-C4' energy: -128.636 flat angles P-C4'-P energy: -95.481 tors. eta vs tors. theta energy: -133.730 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: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1817.563681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.563681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.563681 (E_RNA) where: Base-Base interactions energy: -1229.225 where: short stacking energy: -505.621 Base-Backbone interact. energy: -3.085 local terms energy: -585.253447 where: bonds (distance) C4'-P energy: -115.106 bonds (distance) P-C4' energy: -113.994 flat angles C4'-P-C4' energy: -130.356 flat angles P-C4'-P energy: -91.449 tors. eta vs tors. theta energy: -134.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1814.880520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.880520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.880520 (E_RNA) where: Base-Base interactions energy: -1251.598 where: short stacking energy: -545.467 Base-Backbone interact. energy: 0.016 local terms energy: -563.298462 where: bonds (distance) C4'-P energy: -107.507 bonds (distance) P-C4' energy: -112.370 flat angles C4'-P-C4' energy: -123.556 flat angles P-C4'-P energy: -79.504 tors. eta vs tors. theta energy: -140.361 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: 4 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1240.770095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.770095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.770095 (E_RNA) where: Base-Base interactions energy: -796.693 where: short stacking energy: -357.388 Base-Backbone interact. energy: -2.739 local terms energy: -441.338270 where: bonds (distance) C4'-P energy: -105.121 bonds (distance) P-C4' energy: -118.508 flat angles C4'-P-C4' energy: -103.060 flat angles P-C4'-P energy: -47.364 tors. eta vs tors. theta energy: -67.285 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: 10, replica: 8 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -1209.149868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.149868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.149868 (E_RNA) where: Base-Base interactions energy: -770.853 where: short stacking energy: -332.644 Base-Backbone interact. energy: -0.222 local terms energy: -438.074980 where: bonds (distance) C4'-P energy: -107.191 bonds (distance) P-C4' energy: -106.201 flat angles C4'-P-C4' energy: -107.537 flat angles P-C4'-P energy: -55.995 tors. eta vs tors. theta energy: -61.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2609.126869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.126869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.126869 (E_RNA) where: Base-Base interactions energy: -1844.131 where: short stacking energy: -762.116 Base-Backbone interact. energy: -2.131 local terms energy: -762.864775 where: bonds (distance) C4'-P energy: -139.779 bonds (distance) P-C4' energy: -135.160 flat angles C4'-P-C4' energy: -161.712 flat angles P-C4'-P energy: -100.945 tors. eta vs tors. theta energy: -225.269 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: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2513.483166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.483166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.483166 (E_RNA) where: Base-Base interactions energy: -1756.984 where: short stacking energy: -731.558 Base-Backbone interact. energy: -1.903 local terms energy: -754.595950 where: bonds (distance) C4'-P energy: -135.727 bonds (distance) P-C4' energy: -135.306 flat angles C4'-P-C4' energy: -153.384 flat angles P-C4'-P energy: -113.147 tors. eta vs tors. theta energy: -217.033 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: 7 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2365.666440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.666440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.666440 (E_RNA) where: Base-Base interactions energy: -1677.396 where: short stacking energy: -697.694 Base-Backbone interact. energy: -2.201 local terms energy: -686.069260 where: bonds (distance) C4'-P energy: -120.656 bonds (distance) P-C4' energy: -128.725 flat angles C4'-P-C4' energy: -138.059 flat angles P-C4'-P energy: -92.469 tors. eta vs tors. theta energy: -206.161 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: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2296.362863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.362863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.362863 (E_RNA) where: Base-Base interactions energy: -1608.381 where: short stacking energy: -681.227 Base-Backbone interact. energy: -2.811 local terms energy: -685.170330 where: bonds (distance) C4'-P energy: -130.456 bonds (distance) P-C4' energy: -119.850 flat angles C4'-P-C4' energy: -148.838 flat angles P-C4'-P energy: -83.307 tors. eta vs tors. theta energy: -202.719 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: 5 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2231.543354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.543354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.543354 (E_RNA) where: Base-Base interactions energy: -1549.777 where: short stacking energy: -676.352 Base-Backbone interact. energy: -0.123 local terms energy: -681.643629 where: bonds (distance) C4'-P energy: -124.937 bonds (distance) P-C4' energy: -126.223 flat angles C4'-P-C4' energy: -127.980 flat angles P-C4'-P energy: -97.251 tors. eta vs tors. theta energy: -205.252 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: 6, replica: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1995.342038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.342038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.342038 (E_RNA) where: Base-Base interactions energy: -1371.087 where: short stacking energy: -568.987 Base-Backbone interact. energy: 0.126 local terms energy: -624.380786 where: bonds (distance) C4'-P energy: -113.787 bonds (distance) P-C4' energy: -124.864 flat angles C4'-P-C4' energy: -143.541 flat angles P-C4'-P energy: -89.904 tors. eta vs tors. theta energy: -152.284 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: 2 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1866.396096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.396096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.396096 (E_RNA) where: Base-Base interactions energy: -1277.706 where: short stacking energy: -536.996 Base-Backbone interact. energy: -2.710 local terms energy: -585.980165 where: bonds (distance) C4'-P energy: -112.994 bonds (distance) P-C4' energy: -124.881 flat angles C4'-P-C4' energy: -133.756 flat angles P-C4'-P energy: -69.777 tors. eta vs tors. theta energy: -144.572 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: 6 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1743.719038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.719038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.719038 (E_RNA) where: Base-Base interactions energy: -1206.462 where: short stacking energy: -497.407 Base-Backbone interact. energy: -1.822 local terms energy: -535.435287 where: bonds (distance) C4'-P energy: -105.026 bonds (distance) P-C4' energy: -108.114 flat angles C4'-P-C4' energy: -124.646 flat angles P-C4'-P energy: -81.310 tors. eta vs tors. theta energy: -116.339 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: 138 Temperature: 1.300000 Total energy: -1284.039612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.039612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.039612 (E_RNA) where: Base-Base interactions energy: -879.668 where: short stacking energy: -380.335 Base-Backbone interact. energy: -2.523 local terms energy: -401.848619 where: bonds (distance) C4'-P energy: -80.813 bonds (distance) P-C4' energy: -89.017 flat angles C4'-P-C4' energy: -117.252 flat angles P-C4'-P energy: -45.603 tors. eta vs tors. theta energy: -69.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -1166.637214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.637214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.637214 (E_RNA) where: Base-Base interactions energy: -737.880 where: short stacking energy: -326.635 Base-Backbone interact. energy: 5.132 local terms energy: -433.889427 where: bonds (distance) C4'-P energy: -111.295 bonds (distance) P-C4' energy: -110.656 flat angles C4'-P-C4' energy: -102.942 flat angles P-C4'-P energy: -52.321 tors. eta vs tors. theta energy: -56.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2611.291281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.291281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.291281 (E_RNA) where: Base-Base interactions energy: -1864.747 where: short stacking energy: -772.759 Base-Backbone interact. energy: -0.615 local terms energy: -745.929312 where: bonds (distance) C4'-P energy: -126.062 bonds (distance) P-C4' energy: -129.953 flat angles C4'-P-C4' energy: -156.469 flat angles P-C4'-P energy: -106.153 tors. eta vs tors. theta energy: -227.292 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: 139 Temperature: 0.950000 Total energy: -2556.205133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.205133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.205133 (E_RNA) where: Base-Base interactions energy: -1821.354 where: short stacking energy: -746.798 Base-Backbone interact. energy: 2.128 local terms energy: -736.979662 where: bonds (distance) C4'-P energy: -123.402 bonds (distance) P-C4' energy: -136.362 flat angles C4'-P-C4' energy: -155.196 flat angles P-C4'-P energy: -89.895 tors. eta vs tors. theta energy: -232.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2357.099265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.099265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.099265 (E_RNA) where: Base-Base interactions energy: -1646.088 where: short stacking energy: -693.713 Base-Backbone interact. energy: -0.991 local terms energy: -710.020452 where: bonds (distance) C4'-P energy: -123.846 bonds (distance) P-C4' energy: -138.226 flat angles C4'-P-C4' energy: -146.271 flat angles P-C4'-P energy: -96.871 tors. eta vs tors. theta energy: -204.807 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: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2333.978142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.978142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.978142 (E_RNA) where: Base-Base interactions energy: -1636.125 where: short stacking energy: -705.133 Base-Backbone interact. energy: -3.155 local terms energy: -694.698058 where: bonds (distance) C4'-P energy: -123.789 bonds (distance) P-C4' energy: -121.381 flat angles C4'-P-C4' energy: -142.647 flat angles P-C4'-P energy: -89.933 tors. eta vs tors. theta energy: -216.948 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: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2242.813471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.813471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.813471 (E_RNA) where: Base-Base interactions energy: -1587.783 where: short stacking energy: -668.754 Base-Backbone interact. energy: 3.831 local terms energy: -658.862059 where: bonds (distance) C4'-P energy: -115.543 bonds (distance) P-C4' energy: -112.715 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -92.603 tors. eta vs tors. theta energy: -189.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2122.469595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.469595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.469595 (E_RNA) where: Base-Base interactions energy: -1502.326 where: short stacking energy: -618.318 Base-Backbone interact. energy: -2.627 local terms energy: -617.516359 where: bonds (distance) C4'-P energy: -120.329 bonds (distance) P-C4' energy: -111.665 flat angles C4'-P-C4' energy: -132.771 flat angles P-C4'-P energy: -91.128 tors. eta vs tors. theta energy: -161.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1848.034580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.034580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.034580 (E_RNA) where: Base-Base interactions energy: -1249.272 where: short stacking energy: -530.617 Base-Backbone interact. energy: -1.071 local terms energy: -597.691995 where: bonds (distance) C4'-P energy: -117.025 bonds (distance) P-C4' energy: -111.810 flat angles C4'-P-C4' energy: -138.421 flat angles P-C4'-P energy: -90.237 tors. eta vs tors. theta energy: -140.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1710.215380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.215380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.215380 (E_RNA) where: Base-Base interactions energy: -1149.041 where: short stacking energy: -485.122 Base-Backbone interact. energy: -1.518 local terms energy: -559.656438 where: bonds (distance) C4'-P energy: -123.033 bonds (distance) P-C4' energy: -116.057 flat angles C4'-P-C4' energy: -110.645 flat angles P-C4'-P energy: -86.432 tors. eta vs tors. theta energy: -123.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1367.971642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.971642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.971642 (E_RNA) where: Base-Base interactions energy: -902.990 where: short stacking energy: -381.884 Base-Backbone interact. energy: 2.765 local terms energy: -467.746531 where: bonds (distance) C4'-P energy: -103.951 bonds (distance) P-C4' energy: -108.951 flat angles C4'-P-C4' energy: -123.414 flat angles P-C4'-P energy: -64.154 tors. eta vs tors. theta energy: -67.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -1196.802367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.802367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.802367 (E_RNA) where: Base-Base interactions energy: -751.844 where: short stacking energy: -326.218 Base-Backbone interact. energy: -2.150 local terms energy: -442.808132 where: bonds (distance) C4'-P energy: -100.498 bonds (distance) P-C4' energy: -115.528 flat angles C4'-P-C4' energy: -108.717 flat angles P-C4'-P energy: -78.275 tors. eta vs tors. theta energy: -39.790 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) out arg RESULTS//1/seq3_new_1-8b9ad90f_01 ================================== temp. level: 1, replica: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2624.601360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.601360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.601360 (E_RNA) where: Base-Base interactions energy: -1861.480 where: short stacking energy: -762.270 Base-Backbone interact. energy: -3.186 local terms energy: -759.935370 where: bonds (distance) C4'-P energy: -129.414 bonds (distance) P-C4' energy: -124.716 flat angles C4'-P-C4' energy: -157.966 flat angles P-C4'-P energy: -112.388 tors. eta vs tors. theta energy: -235.452 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: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2522.082950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.082950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.082950 (E_RNA) where: Base-Base interactions energy: -1788.925 where: short stacking energy: -749.701 Base-Backbone interact. energy: -3.233 local terms energy: -729.924550 where: bonds (distance) C4'-P energy: -126.942 bonds (distance) P-C4' energy: -119.109 flat angles C4'-P-C4' energy: -158.416 flat angles P-C4'-P energy: -103.439 tors. eta vs tors. theta energy: -222.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2368.957368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.957368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.957368 (E_RNA) where: Base-Base interactions energy: -1669.972 where: short stacking energy: -674.747 Base-Backbone interact. energy: -1.054 local terms energy: -697.930974 where: bonds (distance) C4'-P energy: -120.968 bonds (distance) P-C4' energy: -127.768 flat angles C4'-P-C4' energy: -159.654 flat angles P-C4'-P energy: -86.019 tors. eta vs tors. theta energy: -203.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2324.267442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.267442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.267442 (E_RNA) where: Base-Base interactions energy: -1631.410 where: short stacking energy: -700.903 Base-Backbone interact. energy: 1.972 local terms energy: -694.829796 where: bonds (distance) C4'-P energy: -117.628 bonds (distance) P-C4' energy: -128.188 flat angles C4'-P-C4' energy: -151.100 flat angles P-C4'-P energy: -91.739 tors. eta vs tors. theta energy: -206.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2190.288593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.288593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.288593 (E_RNA) where: Base-Base interactions energy: -1521.473 where: short stacking energy: -656.955 Base-Backbone interact. energy: 0.321 local terms energy: -669.136103 where: bonds (distance) C4'-P energy: -119.481 bonds (distance) P-C4' energy: -123.437 flat angles C4'-P-C4' energy: -147.438 flat angles P-C4'-P energy: -92.127 tors. eta vs tors. theta energy: -186.653 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: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1958.618991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.618991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.618991 (E_RNA) where: Base-Base interactions energy: -1387.930 where: short stacking energy: -540.057 Base-Backbone interact. energy: -0.143 local terms energy: -570.546337 where: bonds (distance) C4'-P energy: -120.021 bonds (distance) P-C4' energy: -111.102 flat angles C4'-P-C4' energy: -121.365 flat angles P-C4'-P energy: -81.537 tors. eta vs tors. theta energy: -136.521 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: 2 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1849.726229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.726229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.726229 (E_RNA) where: Base-Base interactions energy: -1261.985 where: short stacking energy: -517.503 Base-Backbone interact. energy: 1.119 local terms energy: -588.860175 where: bonds (distance) C4'-P energy: -108.258 bonds (distance) P-C4' energy: -118.570 flat angles C4'-P-C4' energy: -130.350 flat angles P-C4'-P energy: -82.814 tors. eta vs tors. theta energy: -148.867 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: 6 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1778.397852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.397852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.397852 (E_RNA) where: Base-Base interactions energy: -1204.607 where: short stacking energy: -511.686 Base-Backbone interact. energy: 0.327 local terms energy: -574.117533 where: bonds (distance) C4'-P energy: -98.753 bonds (distance) P-C4' energy: -116.233 flat angles C4'-P-C4' energy: -134.635 flat angles P-C4'-P energy: -82.301 tors. eta vs tors. theta energy: -142.195 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: 9, replica: 8 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1401.568454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.568454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.568454 (E_RNA) where: Base-Base interactions energy: -960.674 where: short stacking energy: -415.062 Base-Backbone interact. energy: -3.545 local terms energy: -437.349066 where: bonds (distance) C4'-P energy: -88.402 bonds (distance) P-C4' energy: -100.909 flat angles C4'-P-C4' energy: -103.548 flat angles P-C4'-P energy: -61.220 tors. eta vs tors. theta energy: -83.271 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: 10, replica: 4 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1149.914923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.914923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.914923 (E_RNA) where: Base-Base interactions energy: -721.371 where: short stacking energy: -324.139 Base-Backbone interact. energy: 6.366 local terms energy: -434.910034 where: bonds (distance) C4'-P energy: -106.844 bonds (distance) P-C4' energy: -121.588 flat angles C4'-P-C4' energy: -112.552 flat angles P-C4'-P energy: -48.017 tors. eta vs tors. theta energy: -45.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2644.638286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.638286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.638286 (E_RNA) where: Base-Base interactions energy: -1889.350 where: short stacking energy: -748.500 Base-Backbone interact. energy: -3.562 local terms energy: -751.726634 where: bonds (distance) C4'-P energy: -132.523 bonds (distance) P-C4' energy: -127.581 flat angles C4'-P-C4' energy: -168.130 flat angles P-C4'-P energy: -105.128 tors. eta vs tors. theta energy: -218.364 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: 141 Temperature: 0.950000 Total energy: -2500.643539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.643539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.643539 (E_RNA) where: Base-Base interactions energy: -1786.518 where: short stacking energy: -736.537 Base-Backbone interact. energy: -0.395 local terms energy: -713.729600 where: bonds (distance) C4'-P energy: -119.997 bonds (distance) P-C4' energy: -120.240 flat angles C4'-P-C4' energy: -155.178 flat angles P-C4'-P energy: -98.028 tors. eta vs tors. theta energy: -220.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2383.802460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.802460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.802460 (E_RNA) where: Base-Base interactions energy: -1666.215 where: short stacking energy: -717.754 Base-Backbone interact. energy: -1.906 local terms energy: -715.682187 where: bonds (distance) C4'-P energy: -122.051 bonds (distance) P-C4' energy: -125.728 flat angles C4'-P-C4' energy: -154.789 flat angles P-C4'-P energy: -100.230 tors. eta vs tors. theta energy: -212.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2294.114840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.114840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.114840 (E_RNA) where: Base-Base interactions energy: -1602.259 where: short stacking energy: -666.466 Base-Backbone interact. energy: -1.594 local terms energy: -690.261831 where: bonds (distance) C4'-P energy: -122.449 bonds (distance) P-C4' energy: -133.784 flat angles C4'-P-C4' energy: -144.511 flat angles P-C4'-P energy: -93.260 tors. eta vs tors. theta energy: -196.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2195.677873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.677873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.677873 (E_RNA) where: Base-Base interactions energy: -1500.249 where: short stacking energy: -637.905 Base-Backbone interact. energy: -1.323 local terms energy: -694.106235 where: bonds (distance) C4'-P energy: -132.968 bonds (distance) P-C4' energy: -126.410 flat angles C4'-P-C4' energy: -146.496 flat angles P-C4'-P energy: -103.688 tors. eta vs tors. theta energy: -184.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2019.028533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.028533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.028533 (E_RNA) where: Base-Base interactions energy: -1435.718 where: short stacking energy: -583.940 Base-Backbone interact. energy: 0.245 local terms energy: -583.555535 where: bonds (distance) C4'-P energy: -119.065 bonds (distance) P-C4' energy: -81.799 flat angles C4'-P-C4' energy: -139.589 flat angles P-C4'-P energy: -86.103 tors. eta vs tors. theta energy: -156.999 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: 2 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1887.733655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.733655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.733655 (E_RNA) where: Base-Base interactions energy: -1303.552 where: short stacking energy: -569.533 Base-Backbone interact. energy: -0.521 local terms energy: -583.660450 where: bonds (distance) C4'-P energy: -106.815 bonds (distance) P-C4' energy: -107.731 flat angles C4'-P-C4' energy: -129.131 flat angles P-C4'-P energy: -74.178 tors. eta vs tors. theta energy: -165.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1738.035013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.035013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.035013 (E_RNA) where: Base-Base interactions energy: -1196.035 where: short stacking energy: -496.103 Base-Backbone interact. energy: -1.676 local terms energy: -540.323773 where: bonds (distance) C4'-P energy: -84.568 bonds (distance) P-C4' energy: -110.049 flat angles C4'-P-C4' energy: -130.777 flat angles P-C4'-P energy: -91.483 tors. eta vs tors. theta energy: -123.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1493.117198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.117198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.117198 (E_RNA) where: Base-Base interactions energy: -1010.181 where: short stacking energy: -434.275 Base-Backbone interact. energy: -1.079 local terms energy: -481.857591 where: bonds (distance) C4'-P energy: -108.543 bonds (distance) P-C4' energy: -96.334 flat angles C4'-P-C4' energy: -111.622 flat angles P-C4'-P energy: -75.683 tors. eta vs tors. theta energy: -89.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -1150.707199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.707199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.707199 (E_RNA) where: Base-Base interactions energy: -769.249 where: short stacking energy: -320.001 Base-Backbone interact. energy: 2.687 local terms energy: -384.145800 where: bonds (distance) C4'-P energy: -90.769 bonds (distance) P-C4' energy: -113.520 flat angles C4'-P-C4' energy: -88.804 flat angles P-C4'-P energy: -49.593 tors. eta vs tors. theta energy: -41.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2671.928156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.928156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.928156 (E_RNA) where: Base-Base interactions energy: -1900.119 where: short stacking energy: -774.475 Base-Backbone interact. energy: -3.349 local terms energy: -768.459987 where: bonds (distance) C4'-P energy: -122.129 bonds (distance) P-C4' energy: -142.629 flat angles C4'-P-C4' energy: -164.337 flat angles P-C4'-P energy: -112.499 tors. eta vs tors. theta energy: -226.865 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: 9 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2508.872594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.872594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.872594 (E_RNA) where: Base-Base interactions energy: -1759.289 where: short stacking energy: -718.293 Base-Backbone interact. energy: -1.395 local terms energy: -748.188762 where: bonds (distance) C4'-P energy: -124.087 bonds (distance) P-C4' energy: -135.828 flat angles C4'-P-C4' energy: -158.086 flat angles P-C4'-P energy: -106.278 tors. eta vs tors. theta energy: -223.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2358.582114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.582114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.582114 (E_RNA) where: Base-Base interactions energy: -1629.441 where: short stacking energy: -684.293 Base-Backbone interact. energy: 1.383 local terms energy: -730.524215 where: bonds (distance) C4'-P energy: -133.440 bonds (distance) P-C4' energy: -132.613 flat angles C4'-P-C4' energy: -149.518 flat angles P-C4'-P energy: -107.329 tors. eta vs tors. theta energy: -207.623 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: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2314.291922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.291922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.291922 (E_RNA) where: Base-Base interactions energy: -1641.433 where: short stacking energy: -674.695 Base-Backbone interact. energy: 1.492 local terms energy: -674.351111 where: bonds (distance) C4'-P energy: -112.155 bonds (distance) P-C4' energy: -120.018 flat angles C4'-P-C4' energy: -143.602 flat angles P-C4'-P energy: -100.199 tors. eta vs tors. theta energy: -198.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2161.378542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.378542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.378542 (E_RNA) where: Base-Base interactions energy: -1484.099 where: short stacking energy: -651.536 Base-Backbone interact. energy: 0.810 local terms energy: -678.088940 where: bonds (distance) C4'-P energy: -128.652 bonds (distance) P-C4' energy: -117.611 flat angles C4'-P-C4' energy: -147.938 flat angles P-C4'-P energy: -91.429 tors. eta vs tors. theta energy: -192.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2022.080612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.080612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.080612 (E_RNA) where: Base-Base interactions energy: -1417.937 where: short stacking energy: -585.052 Base-Backbone interact. energy: -2.491 local terms energy: -601.651952 where: bonds (distance) C4'-P energy: -116.066 bonds (distance) P-C4' energy: -118.640 flat angles C4'-P-C4' energy: -131.813 flat angles P-C4'-P energy: -75.340 tors. eta vs tors. theta energy: -159.792 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: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1844.018840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.018840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.018840 (E_RNA) where: Base-Base interactions energy: -1268.246 where: short stacking energy: -537.843 Base-Backbone interact. energy: -1.482 local terms energy: -574.291677 where: bonds (distance) C4'-P energy: -109.438 bonds (distance) P-C4' energy: -120.601 flat angles C4'-P-C4' energy: -128.077 flat angles P-C4'-P energy: -69.152 tors. eta vs tors. theta energy: -147.024 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: 8, replica: 6 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1709.926966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.926966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.926966 (E_RNA) where: Base-Base interactions energy: -1159.713 where: short stacking energy: -488.015 Base-Backbone interact. energy: 4.613 local terms energy: -554.827062 where: bonds (distance) C4'-P energy: -98.171 bonds (distance) P-C4' energy: -118.571 flat angles C4'-P-C4' energy: -117.311 flat angles P-C4'-P energy: -97.892 tors. eta vs tors. theta energy: -122.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1488.296668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.296668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.296668 (E_RNA) where: Base-Base interactions energy: -986.086 where: short stacking energy: -440.821 Base-Backbone interact. energy: -1.215 local terms energy: -500.995776 where: bonds (distance) C4'-P energy: -123.322 bonds (distance) P-C4' energy: -108.977 flat angles C4'-P-C4' energy: -114.088 flat angles P-C4'-P energy: -58.520 tors. eta vs tors. theta energy: -96.088 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: 4 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -1103.084123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.084123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.084123 (E_RNA) where: Base-Base interactions energy: -661.829 where: short stacking energy: -276.300 Base-Backbone interact. energy: 0.860 local terms energy: -442.115216 where: bonds (distance) C4'-P energy: -118.514 bonds (distance) P-C4' energy: -118.588 flat angles C4'-P-C4' energy: -103.190 flat angles P-C4'-P energy: -60.737 tors. eta vs tors. theta energy: -41.085 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: 10 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2668.736078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.736078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.736078 (E_RNA) where: Base-Base interactions energy: -1900.347 where: short stacking energy: -782.409 Base-Backbone interact. energy: 1.841 local terms energy: -770.229594 where: bonds (distance) C4'-P energy: -138.607 bonds (distance) P-C4' energy: -137.689 flat angles C4'-P-C4' energy: -150.533 flat angles P-C4'-P energy: -117.532 tors. eta vs tors. theta energy: -225.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2511.779978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.779978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.779978 (E_RNA) where: Base-Base interactions energy: -1770.552 where: short stacking energy: -704.813 Base-Backbone interact. energy: 0.254 local terms energy: -741.481880 where: bonds (distance) C4'-P energy: -131.590 bonds (distance) P-C4' energy: -135.759 flat angles C4'-P-C4' energy: -149.349 flat angles P-C4'-P energy: -106.312 tors. eta vs tors. theta energy: -218.472 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: 7 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2376.970277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.970277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.970277 (E_RNA) where: Base-Base interactions energy: -1671.494 where: short stacking energy: -700.764 Base-Backbone interact. energy: -3.198 local terms energy: -702.278727 where: bonds (distance) C4'-P energy: -119.322 bonds (distance) P-C4' energy: -125.426 flat angles C4'-P-C4' energy: -153.509 flat angles P-C4'-P energy: -102.400 tors. eta vs tors. theta energy: -201.622 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: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2333.398414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.398414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.398414 (E_RNA) where: Base-Base interactions energy: -1635.184 where: short stacking energy: -663.190 Base-Backbone interact. energy: -0.927 local terms energy: -697.287609 where: bonds (distance) C4'-P energy: -138.003 bonds (distance) P-C4' energy: -122.361 flat angles C4'-P-C4' energy: -134.886 flat angles P-C4'-P energy: -100.852 tors. eta vs tors. theta energy: -201.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2228.916118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.916118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.916118 (E_RNA) where: Base-Base interactions energy: -1553.703 where: short stacking energy: -656.877 Base-Backbone interact. energy: 1.631 local terms energy: -676.844349 where: bonds (distance) C4'-P energy: -113.696 bonds (distance) P-C4' energy: -127.865 flat angles C4'-P-C4' energy: -152.037 flat angles P-C4'-P energy: -91.239 tors. eta vs tors. theta energy: -192.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2040.302083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.302083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.302083 (E_RNA) where: Base-Base interactions energy: -1427.082 where: short stacking energy: -573.910 Base-Backbone interact. energy: -3.305 local terms energy: -609.915739 where: bonds (distance) C4'-P energy: -134.407 bonds (distance) P-C4' energy: -110.948 flat angles C4'-P-C4' energy: -129.994 flat angles P-C4'-P energy: -85.219 tors. eta vs tors. theta energy: -149.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1867.045333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.045333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.045333 (E_RNA) where: Base-Base interactions energy: -1291.336 where: short stacking energy: -545.569 Base-Backbone interact. energy: -1.671 local terms energy: -574.038652 where: bonds (distance) C4'-P energy: -107.842 bonds (distance) P-C4' energy: -119.720 flat angles C4'-P-C4' energy: -119.276 flat angles P-C4'-P energy: -79.162 tors. eta vs tors. theta energy: -148.039 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: 6 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1722.297717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.297717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.297717 (E_RNA) where: Base-Base interactions energy: -1193.255 where: short stacking energy: -490.373 Base-Backbone interact. energy: -1.361 local terms energy: -527.681692 where: bonds (distance) C4'-P energy: -106.352 bonds (distance) P-C4' energy: -119.727 flat angles C4'-P-C4' energy: -112.458 flat angles P-C4'-P energy: -69.143 tors. eta vs tors. theta energy: -120.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1494.479813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.479813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.479813 (E_RNA) where: Base-Base interactions energy: -1021.968 where: short stacking energy: -425.703 Base-Backbone interact. energy: -1.796 local terms energy: -470.715862 where: bonds (distance) C4'-P energy: -106.030 bonds (distance) P-C4' energy: -110.188 flat angles C4'-P-C4' energy: -121.349 flat angles P-C4'-P energy: -50.493 tors. eta vs tors. theta energy: -82.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1120.799334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.799334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.799334 (E_RNA) where: Base-Base interactions energy: -717.767 where: short stacking energy: -323.650 Base-Backbone interact. energy: 1.123 local terms energy: -404.155993 where: bonds (distance) C4'-P energy: -83.842 bonds (distance) P-C4' energy: -89.022 flat angles C4'-P-C4' energy: -116.704 flat angles P-C4'-P energy: -67.933 tors. eta vs tors. theta energy: -46.655 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: 10 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2667.727534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.727534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.727534 (E_RNA) where: Base-Base interactions energy: -1894.661 where: short stacking energy: -757.990 Base-Backbone interact. energy: -0.304 local terms energy: -772.762785 where: bonds (distance) C4'-P energy: -139.846 bonds (distance) P-C4' energy: -138.470 flat angles C4'-P-C4' energy: -152.693 flat angles P-C4'-P energy: -114.166 tors. eta vs tors. theta energy: -227.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2555.724505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.724505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.724505 (E_RNA) where: Base-Base interactions energy: -1817.112 where: short stacking energy: -720.294 Base-Backbone interact. energy: 0.529 local terms energy: -739.140650 where: bonds (distance) C4'-P energy: -123.913 bonds (distance) P-C4' energy: -128.215 flat angles C4'-P-C4' energy: -159.924 flat angles P-C4'-P energy: -102.280 tors. eta vs tors. theta energy: -224.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2311.649492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.649492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.649492 (E_RNA) where: Base-Base interactions energy: -1632.503 where: short stacking energy: -670.276 Base-Backbone interact. energy: -4.476 local terms energy: -674.671244 where: bonds (distance) C4'-P energy: -118.523 bonds (distance) P-C4' energy: -123.360 flat angles C4'-P-C4' energy: -153.966 flat angles P-C4'-P energy: -94.787 tors. eta vs tors. theta energy: -184.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2308.411009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.411009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.411009 (E_RNA) where: Base-Base interactions energy: -1614.363 where: short stacking energy: -688.656 Base-Backbone interact. energy: -1.482 local terms energy: -692.565729 where: bonds (distance) C4'-P energy: -112.742 bonds (distance) P-C4' energy: -124.641 flat angles C4'-P-C4' energy: -143.748 flat angles P-C4'-P energy: -97.678 tors. eta vs tors. theta energy: -213.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2182.165611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.165611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.165611 (E_RNA) where: Base-Base interactions energy: -1542.801 where: short stacking energy: -677.322 Base-Backbone interact. energy: -2.254 local terms energy: -637.110507 where: bonds (distance) C4'-P energy: -113.422 bonds (distance) P-C4' energy: -106.533 flat angles C4'-P-C4' energy: -135.174 flat angles P-C4'-P energy: -87.174 tors. eta vs tors. theta energy: -194.808 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: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2039.886373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.886373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.886373 (E_RNA) where: Base-Base interactions energy: -1437.997 where: short stacking energy: -574.895 Base-Backbone interact. energy: -0.740 local terms energy: -601.150223 where: bonds (distance) C4'-P energy: -126.279 bonds (distance) P-C4' energy: -111.320 flat angles C4'-P-C4' energy: -123.580 flat angles P-C4'-P energy: -77.008 tors. eta vs tors. theta energy: -162.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1847.365968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.365968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.365968 (E_RNA) where: Base-Base interactions energy: -1266.966 where: short stacking energy: -563.230 Base-Backbone interact. energy: -0.616 local terms energy: -579.783376 where: bonds (distance) C4'-P energy: -84.345 bonds (distance) P-C4' energy: -131.768 flat angles C4'-P-C4' energy: -109.653 flat angles P-C4'-P energy: -96.648 tors. eta vs tors. theta energy: -157.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1735.715184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.715184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.715184 (E_RNA) where: Base-Base interactions energy: -1214.063 where: short stacking energy: -498.904 Base-Backbone interact. energy: 8.521 local terms energy: -530.173277 where: bonds (distance) C4'-P energy: -95.608 bonds (distance) P-C4' energy: -111.356 flat angles C4'-P-C4' energy: -132.987 flat angles P-C4'-P energy: -68.449 tors. eta vs tors. theta energy: -121.774 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: 8 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1578.661529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.661529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.661529 (E_RNA) where: Base-Base interactions energy: -1076.876 where: short stacking energy: -442.291 Base-Backbone interact. energy: 0.939 local terms energy: -502.724676 where: bonds (distance) C4'-P energy: -104.897 bonds (distance) P-C4' energy: -102.417 flat angles C4'-P-C4' energy: -107.649 flat angles P-C4'-P energy: -70.574 tors. eta vs tors. theta energy: -117.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -1156.837278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.837278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.837278 (E_RNA) where: Base-Base interactions energy: -769.427 where: short stacking energy: -330.577 Base-Backbone interact. energy: 1.321 local terms energy: -388.730830 where: bonds (distance) C4'-P energy: -90.111 bonds (distance) P-C4' energy: -107.119 flat angles C4'-P-C4' energy: -102.739 flat angles P-C4'-P energy: -46.695 tors. eta vs tors. theta energy: -42.066 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: 1, replica: 10 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2653.251538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.251538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.251538 (E_RNA) where: Base-Base interactions energy: -1914.460 where: short stacking energy: -768.688 Base-Backbone interact. energy: -3.090 local terms energy: -735.701412 where: bonds (distance) C4'-P energy: -116.626 bonds (distance) P-C4' energy: -145.025 flat angles C4'-P-C4' energy: -145.445 flat angles P-C4'-P energy: -108.946 tors. eta vs tors. theta energy: -219.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2531.285297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.285297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.285297 (E_RNA) where: Base-Base interactions energy: -1808.945 where: short stacking energy: -753.799 Base-Backbone interact. energy: 1.853 local terms energy: -724.193120 where: bonds (distance) C4'-P energy: -117.632 bonds (distance) P-C4' energy: -136.288 flat angles C4'-P-C4' energy: -160.659 flat angles P-C4'-P energy: -93.339 tors. eta vs tors. theta energy: -216.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2335.998589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.998589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.998589 (E_RNA) where: Base-Base interactions energy: -1625.447 where: short stacking energy: -648.366 Base-Backbone interact. energy: -3.427 local terms energy: -707.125088 where: bonds (distance) C4'-P energy: -133.969 bonds (distance) P-C4' energy: -137.264 flat angles C4'-P-C4' energy: -150.951 flat angles P-C4'-P energy: -94.742 tors. eta vs tors. theta energy: -190.199 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: 4, replica: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2359.485656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.485656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.485656 (E_RNA) where: Base-Base interactions energy: -1663.821 where: short stacking energy: -721.055 Base-Backbone interact. energy: -2.338 local terms energy: -693.327339 where: bonds (distance) C4'-P energy: -130.343 bonds (distance) P-C4' energy: -106.141 flat angles C4'-P-C4' energy: -147.849 flat angles P-C4'-P energy: -91.368 tors. eta vs tors. theta energy: -217.626 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: 5 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2213.518890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.518890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.518890 (E_RNA) where: Base-Base interactions energy: -1518.895 where: short stacking energy: -640.829 Base-Backbone interact. energy: 4.076 local terms energy: -698.699535 where: bonds (distance) C4'-P energy: -121.220 bonds (distance) P-C4' energy: -137.204 flat angles C4'-P-C4' energy: -139.469 flat angles P-C4'-P energy: -98.447 tors. eta vs tors. theta energy: -202.360 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: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2067.531786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.531786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.531786 (E_RNA) where: Base-Base interactions energy: -1446.769 where: short stacking energy: -605.295 Base-Backbone interact. energy: -1.646 local terms energy: -619.117207 where: bonds (distance) C4'-P energy: -125.384 bonds (distance) P-C4' energy: -124.666 flat angles C4'-P-C4' energy: -130.448 flat angles P-C4'-P energy: -72.139 tors. eta vs tors. theta energy: -166.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1849.714928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.714928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.714928 (E_RNA) where: Base-Base interactions energy: -1243.198 where: short stacking energy: -526.230 Base-Backbone interact. energy: -0.058 local terms energy: -606.459214 where: bonds (distance) C4'-P energy: -103.258 bonds (distance) P-C4' energy: -125.872 flat angles C4'-P-C4' energy: -127.947 flat angles P-C4'-P energy: -96.917 tors. eta vs tors. theta energy: -152.465 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: 6 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1820.598581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.598581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.598581 (E_RNA) where: Base-Base interactions energy: -1258.087 where: short stacking energy: -540.676 Base-Backbone interact. energy: -2.412 local terms energy: -560.100310 where: bonds (distance) C4'-P energy: -101.535 bonds (distance) P-C4' energy: -99.871 flat angles C4'-P-C4' energy: -134.324 flat angles P-C4'-P energy: -75.574 tors. eta vs tors. theta energy: -148.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1514.245234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.245234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.245234 (E_RNA) where: Base-Base interactions energy: -1020.570 where: short stacking energy: -427.416 Base-Backbone interact. energy: -4.083 local terms energy: -489.591670 where: bonds (distance) C4'-P energy: -91.505 bonds (distance) P-C4' energy: -107.783 flat angles C4'-P-C4' energy: -117.116 flat angles P-C4'-P energy: -76.567 tors. eta vs tors. theta energy: -96.620 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: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -1115.574547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.574547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.574547 (E_RNA) where: Base-Base interactions energy: -706.354 where: short stacking energy: -283.459 Base-Backbone interact. energy: 1.736 local terms energy: -410.956407 where: bonds (distance) C4'-P energy: -103.747 bonds (distance) P-C4' energy: -107.773 flat angles C4'-P-C4' energy: -115.855 flat angles P-C4'-P energy: -58.413 tors. eta vs tors. theta energy: -25.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2633.153156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.153156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.153156 (E_RNA) where: Base-Base interactions energy: -1884.036 where: short stacking energy: -765.719 Base-Backbone interact. energy: -2.108 local terms energy: -747.009020 where: bonds (distance) C4'-P energy: -130.529 bonds (distance) P-C4' energy: -130.072 flat angles C4'-P-C4' energy: -155.524 flat angles P-C4'-P energy: -110.316 tors. eta vs tors. theta energy: -220.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2518.634500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.634500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.634500 (E_RNA) where: Base-Base interactions energy: -1776.649 where: short stacking energy: -725.938 Base-Backbone interact. energy: -2.986 local terms energy: -738.999384 where: bonds (distance) C4'-P energy: -119.432 bonds (distance) P-C4' energy: -135.240 flat angles C4'-P-C4' energy: -153.264 flat angles P-C4'-P energy: -114.115 tors. eta vs tors. theta energy: -216.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2373.982443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.982443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.982443 (E_RNA) where: Base-Base interactions energy: -1658.553 where: short stacking energy: -686.164 Base-Backbone interact. energy: -2.498 local terms energy: -712.931552 where: bonds (distance) C4'-P energy: -118.777 bonds (distance) P-C4' energy: -135.299 flat angles C4'-P-C4' energy: -145.975 flat angles P-C4'-P energy: -96.089 tors. eta vs tors. theta energy: -216.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2329.704830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.704830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.704830 (E_RNA) where: Base-Base interactions energy: -1611.474 where: short stacking energy: -676.951 Base-Backbone interact. energy: -3.477 local terms energy: -714.753396 where: bonds (distance) C4'-P energy: -124.019 bonds (distance) P-C4' energy: -127.119 flat angles C4'-P-C4' energy: -153.117 flat angles P-C4'-P energy: -104.618 tors. eta vs tors. theta energy: -205.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2176.622385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.622385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.622385 (E_RNA) where: Base-Base interactions energy: -1527.362 where: short stacking energy: -643.499 Base-Backbone interact. energy: -1.492 local terms energy: -647.767580 where: bonds (distance) C4'-P energy: -114.465 bonds (distance) P-C4' energy: -113.358 flat angles C4'-P-C4' energy: -135.738 flat angles P-C4'-P energy: -93.097 tors. eta vs tors. theta energy: -191.110 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: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2030.543310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.543310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.543310 (E_RNA) where: Base-Base interactions energy: -1430.741 where: short stacking energy: -593.198 Base-Backbone interact. energy: -4.290 local terms energy: -595.512848 where: bonds (distance) C4'-P energy: -105.716 bonds (distance) P-C4' energy: -107.489 flat angles C4'-P-C4' energy: -134.016 flat angles P-C4'-P energy: -86.639 tors. eta vs tors. theta energy: -161.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1823.205634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.205634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.205634 (E_RNA) where: Base-Base interactions energy: -1234.422 where: short stacking energy: -523.384 Base-Backbone interact. energy: -4.796 local terms energy: -583.987526 where: bonds (distance) C4'-P energy: -99.670 bonds (distance) P-C4' energy: -125.119 flat angles C4'-P-C4' energy: -126.260 flat angles P-C4'-P energy: -84.022 tors. eta vs tors. theta energy: -148.916 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: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1789.918302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.918302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.918302 (E_RNA) where: Base-Base interactions energy: -1221.054 where: short stacking energy: -521.506 Base-Backbone interact. energy: -3.289 local terms energy: -565.575681 where: bonds (distance) C4'-P energy: -110.021 bonds (distance) P-C4' energy: -109.675 flat angles C4'-P-C4' energy: -123.233 flat angles P-C4'-P energy: -78.563 tors. eta vs tors. theta energy: -144.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1479.319455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.319455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.319455 (E_RNA) where: Base-Base interactions energy: -993.637 where: short stacking energy: -415.684 Base-Backbone interact. energy: -1.130 local terms energy: -484.552116 where: bonds (distance) C4'-P energy: -104.762 bonds (distance) P-C4' energy: -121.628 flat angles C4'-P-C4' energy: -114.567 flat angles P-C4'-P energy: -59.534 tors. eta vs tors. theta energy: -84.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -1079.828269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.828269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.828269 (E_RNA) where: Base-Base interactions energy: -700.836 where: short stacking energy: -312.494 Base-Backbone interact. energy: 9.270 local terms energy: -388.262027 where: bonds (distance) C4'-P energy: -100.174 bonds (distance) P-C4' energy: -108.581 flat angles C4'-P-C4' energy: -104.853 flat angles P-C4'-P energy: -44.864 tors. eta vs tors. theta energy: -29.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2633.480183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.480183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.480183 (E_RNA) where: Base-Base interactions energy: -1870.053 where: short stacking energy: -752.753 Base-Backbone interact. energy: -4.286 local terms energy: -759.141758 where: bonds (distance) C4'-P energy: -139.982 bonds (distance) P-C4' energy: -126.570 flat angles C4'-P-C4' energy: -164.084 flat angles P-C4'-P energy: -103.029 tors. eta vs tors. theta energy: -225.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2532.532734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.532734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.532734 (E_RNA) where: Base-Base interactions energy: -1802.797 where: short stacking energy: -717.210 Base-Backbone interact. energy: -1.614 local terms energy: -728.122524 where: bonds (distance) C4'-P energy: -141.662 bonds (distance) P-C4' energy: -130.368 flat angles C4'-P-C4' energy: -142.366 flat angles P-C4'-P energy: -97.493 tors. eta vs tors. theta energy: -216.234 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: 3, replica: 1 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2444.362546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.362546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.362546 (E_RNA) where: Base-Base interactions energy: -1728.762 where: short stacking energy: -710.780 Base-Backbone interact. energy: -0.874 local terms energy: -714.727138 where: bonds (distance) C4'-P energy: -120.854 bonds (distance) P-C4' energy: -122.937 flat angles C4'-P-C4' energy: -155.000 flat angles P-C4'-P energy: -103.175 tors. eta vs tors. theta energy: -212.761 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: 7 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2275.380816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.380816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.380816 (E_RNA) where: Base-Base interactions energy: -1575.057 where: short stacking energy: -643.136 Base-Backbone interact. energy: -0.683 local terms energy: -699.640897 where: bonds (distance) C4'-P energy: -126.330 bonds (distance) P-C4' energy: -127.696 flat angles C4'-P-C4' energy: -139.449 flat angles P-C4'-P energy: -111.605 tors. eta vs tors. theta energy: -194.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2242.011620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.011620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.011620 (E_RNA) where: Base-Base interactions energy: -1558.321 where: short stacking energy: -655.173 Base-Backbone interact. energy: -0.489 local terms energy: -683.201590 where: bonds (distance) C4'-P energy: -117.946 bonds (distance) P-C4' energy: -117.111 flat angles C4'-P-C4' energy: -150.031 flat angles P-C4'-P energy: -95.705 tors. eta vs tors. theta energy: -202.409 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: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2034.546798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.546798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.546798 (E_RNA) where: Base-Base interactions energy: -1430.940 where: short stacking energy: -556.728 Base-Backbone interact. energy: 0.335 local terms energy: -603.941825 where: bonds (distance) C4'-P energy: -121.093 bonds (distance) P-C4' energy: -113.398 flat angles C4'-P-C4' energy: -144.405 flat angles P-C4'-P energy: -69.956 tors. eta vs tors. theta energy: -155.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1829.568149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.568149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.568149 (E_RNA) where: Base-Base interactions energy: -1256.141 where: short stacking energy: -531.869 Base-Backbone interact. energy: 1.455 local terms energy: -574.882513 where: bonds (distance) C4'-P energy: -113.493 bonds (distance) P-C4' energy: -116.399 flat angles C4'-P-C4' energy: -131.128 flat angles P-C4'-P energy: -70.680 tors. eta vs tors. theta energy: -143.183 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: 2 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1752.924202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.924202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.924202 (E_RNA) where: Base-Base interactions energy: -1204.760 where: short stacking energy: -499.626 Base-Backbone interact. energy: -0.678 local terms energy: -547.485724 where: bonds (distance) C4'-P energy: -91.745 bonds (distance) P-C4' energy: -126.891 flat angles C4'-P-C4' energy: -103.861 flat angles P-C4'-P energy: -83.785 tors. eta vs tors. theta energy: -141.204 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: 147 Temperature: 1.300000 Total energy: -1479.993949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.993949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.993949 (E_RNA) where: Base-Base interactions energy: -1010.708 where: short stacking energy: -429.881 Base-Backbone interact. energy: -1.005 local terms energy: -468.281707 where: bonds (distance) C4'-P energy: -90.936 bonds (distance) P-C4' energy: -115.129 flat angles C4'-P-C4' energy: -104.560 flat angles P-C4'-P energy: -69.405 tors. eta vs tors. theta energy: -88.251 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: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -1144.248393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.248393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.248393 (E_RNA) where: Base-Base interactions energy: -733.107 where: short stacking energy: -313.913 Base-Backbone interact. energy: -3.257 local terms energy: -407.885148 where: bonds (distance) C4'-P energy: -111.224 bonds (distance) P-C4' energy: -113.231 flat angles C4'-P-C4' energy: -96.497 flat angles P-C4'-P energy: -42.607 tors. eta vs tors. theta energy: -44.326 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: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2640.635584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.635584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.635584 (E_RNA) where: Base-Base interactions energy: -1876.933 where: short stacking energy: -768.661 Base-Backbone interact. energy: -1.242 local terms energy: -762.459956 where: bonds (distance) C4'-P energy: -129.589 bonds (distance) P-C4' energy: -141.013 flat angles C4'-P-C4' energy: -156.582 flat angles P-C4'-P energy: -115.814 tors. eta vs tors. theta energy: -219.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2510.989568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.989568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.989568 (E_RNA) where: Base-Base interactions energy: -1774.651 where: short stacking energy: -730.438 Base-Backbone interact. energy: 1.511 local terms energy: -737.848642 where: bonds (distance) C4'-P energy: -132.478 bonds (distance) P-C4' energy: -131.404 flat angles C4'-P-C4' energy: -160.786 flat angles P-C4'-P energy: -97.007 tors. eta vs tors. theta energy: -216.173 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: 3, replica: 1 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2442.986017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.986017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.986017 (E_RNA) where: Base-Base interactions energy: -1724.480 where: short stacking energy: -715.848 Base-Backbone interact. energy: -0.028 local terms energy: -718.477328 where: bonds (distance) C4'-P energy: -112.297 bonds (distance) P-C4' energy: -132.284 flat angles C4'-P-C4' energy: -155.415 flat angles P-C4'-P energy: -108.089 tors. eta vs tors. theta energy: -210.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2265.221554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.221554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.221554 (E_RNA) where: Base-Base interactions energy: -1593.918 where: short stacking energy: -653.373 Base-Backbone interact. energy: -2.505 local terms energy: -668.798915 where: bonds (distance) C4'-P energy: -107.326 bonds (distance) P-C4' energy: -135.442 flat angles C4'-P-C4' energy: -146.330 flat angles P-C4'-P energy: -105.989 tors. eta vs tors. theta energy: -173.711 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: 148 Temperature: 1.100000 Total energy: -2224.400979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.400979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.400979 (E_RNA) where: Base-Base interactions energy: -1558.035 where: short stacking energy: -667.171 Base-Backbone interact. energy: -2.175 local terms energy: -664.191470 where: bonds (distance) C4'-P energy: -109.778 bonds (distance) P-C4' energy: -121.210 flat angles C4'-P-C4' energy: -148.583 flat angles P-C4'-P energy: -91.160 tors. eta vs tors. theta energy: -193.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2077.961852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.961852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.961852 (E_RNA) where: Base-Base interactions energy: -1495.033 where: short stacking energy: -586.361 Base-Backbone interact. energy: -0.283 local terms energy: -582.646048 where: bonds (distance) C4'-P energy: -105.335 bonds (distance) P-C4' energy: -119.291 flat angles C4'-P-C4' energy: -127.210 flat angles P-C4'-P energy: -77.130 tors. eta vs tors. theta energy: -153.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1823.277390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.277390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.277390 (E_RNA) where: Base-Base interactions energy: -1245.394 where: short stacking energy: -526.938 Base-Backbone interact. energy: 0.180 local terms energy: -578.063006 where: bonds (distance) C4'-P energy: -110.931 bonds (distance) P-C4' energy: -121.140 flat angles C4'-P-C4' energy: -124.772 flat angles P-C4'-P energy: -86.759 tors. eta vs tors. theta energy: -134.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1689.331920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.331920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.331920 (E_RNA) where: Base-Base interactions energy: -1140.010 where: short stacking energy: -452.982 Base-Backbone interact. energy: -0.601 local terms energy: -548.721476 where: bonds (distance) C4'-P energy: -125.135 bonds (distance) P-C4' energy: -119.682 flat angles C4'-P-C4' energy: -114.687 flat angles P-C4'-P energy: -66.831 tors. eta vs tors. theta energy: -122.386 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: 148 Temperature: 1.300000 Total energy: -1488.616460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.616460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.616460 (E_RNA) where: Base-Base interactions energy: -964.913 where: short stacking energy: -405.238 Base-Backbone interact. energy: -1.344 local terms energy: -522.360132 where: bonds (distance) C4'-P energy: -123.627 bonds (distance) P-C4' energy: -109.847 flat angles C4'-P-C4' energy: -112.697 flat angles P-C4'-P energy: -81.759 tors. eta vs tors. theta energy: -94.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1188.469177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.469177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.469177 (E_RNA) where: Base-Base interactions energy: -703.951 where: short stacking energy: -299.170 Base-Backbone interact. energy: 1.497 local terms energy: -486.015143 where: bonds (distance) C4'-P energy: -112.013 bonds (distance) P-C4' energy: -128.101 flat angles C4'-P-C4' energy: -109.778 flat angles P-C4'-P energy: -71.056 tors. eta vs tors. theta energy: -65.067 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: 10 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2628.854974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.854974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.854974 (E_RNA) where: Base-Base interactions energy: -1879.178 where: short stacking energy: -750.552 Base-Backbone interact. energy: -1.932 local terms energy: -747.745490 where: bonds (distance) C4'-P energy: -132.979 bonds (distance) P-C4' energy: -135.879 flat angles C4'-P-C4' energy: -156.349 flat angles P-C4'-P energy: -102.125 tors. eta vs tors. theta energy: -220.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2520.209001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.209001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.209001 (E_RNA) where: Base-Base interactions energy: -1795.126 where: short stacking energy: -731.962 Base-Backbone interact. energy: -3.526 local terms energy: -721.556351 where: bonds (distance) C4'-P energy: -135.840 bonds (distance) P-C4' energy: -126.002 flat angles C4'-P-C4' energy: -156.628 flat angles P-C4'-P energy: -91.750 tors. eta vs tors. theta energy: -211.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2429.061758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.061758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.061758 (E_RNA) where: Base-Base interactions energy: -1718.690 where: short stacking energy: -711.834 Base-Backbone interact. energy: -3.029 local terms energy: -707.342705 where: bonds (distance) C4'-P energy: -126.112 bonds (distance) P-C4' energy: -125.899 flat angles C4'-P-C4' energy: -139.742 flat angles P-C4'-P energy: -98.740 tors. eta vs tors. theta energy: -216.849 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: 7 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2219.011533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.011533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.011533 (E_RNA) where: Base-Base interactions energy: -1539.261 where: short stacking energy: -655.864 Base-Backbone interact. energy: -3.410 local terms energy: -676.340300 where: bonds (distance) C4'-P energy: -125.867 bonds (distance) P-C4' energy: -125.653 flat angles C4'-P-C4' energy: -145.149 flat angles P-C4'-P energy: -100.230 tors. eta vs tors. theta energy: -179.441 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: 5 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2203.492943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.492943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.492943 (E_RNA) where: Base-Base interactions energy: -1522.207 where: short stacking energy: -665.533 Base-Backbone interact. energy: -2.174 local terms energy: -679.111529 where: bonds (distance) C4'-P energy: -115.860 bonds (distance) P-C4' energy: -111.097 flat angles C4'-P-C4' energy: -152.219 flat angles P-C4'-P energy: -94.776 tors. eta vs tors. theta energy: -205.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2097.926464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.926464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.926464 (E_RNA) where: Base-Base interactions energy: -1478.404 where: short stacking energy: -643.318 Base-Backbone interact. energy: -4.098 local terms energy: -615.424923 where: bonds (distance) C4'-P energy: -104.394 bonds (distance) P-C4' energy: -101.937 flat angles C4'-P-C4' energy: -148.640 flat angles P-C4'-P energy: -87.890 tors. eta vs tors. theta energy: -172.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1768.660644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.660644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.660644 (E_RNA) where: Base-Base interactions energy: -1207.742 where: short stacking energy: -525.853 Base-Backbone interact. energy: 0.427 local terms energy: -561.345828 where: bonds (distance) C4'-P energy: -112.702 bonds (distance) P-C4' energy: -109.049 flat angles C4'-P-C4' energy: -132.595 flat angles P-C4'-P energy: -78.007 tors. eta vs tors. theta energy: -128.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1702.179744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.179744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.179744 (E_RNA) where: Base-Base interactions energy: -1180.824 where: short stacking energy: -502.236 Base-Backbone interact. energy: -1.471 local terms energy: -519.885037 where: bonds (distance) C4'-P energy: -89.624 bonds (distance) P-C4' energy: -104.733 flat angles C4'-P-C4' energy: -120.075 flat angles P-C4'-P energy: -75.943 tors. eta vs tors. theta energy: -129.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1381.453549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.453549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.453549 (E_RNA) where: Base-Base interactions energy: -903.569 where: short stacking energy: -370.308 Base-Backbone interact. energy: -2.096 local terms energy: -475.788187 where: bonds (distance) C4'-P energy: -109.194 bonds (distance) P-C4' energy: -119.885 flat angles C4'-P-C4' energy: -116.739 flat angles P-C4'-P energy: -55.105 tors. eta vs tors. theta energy: -74.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -1182.929435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.929435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.929435 (E_RNA) where: Base-Base interactions energy: -757.492 where: short stacking energy: -350.108 Base-Backbone interact. energy: -1.720 local terms energy: -423.717467 where: bonds (distance) C4'-P energy: -93.142 bonds (distance) P-C4' energy: -100.655 flat angles C4'-P-C4' energy: -110.263 flat angles P-C4'-P energy: -57.013 tors. eta vs tors. theta energy: -62.646 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: 10 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2642.518514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.518514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.518514 (E_RNA) where: Base-Base interactions energy: -1893.894 where: short stacking energy: -771.780 Base-Backbone interact. energy: -2.295 local terms energy: -746.329435 where: bonds (distance) C4'-P energy: -120.366 bonds (distance) P-C4' energy: -140.164 flat angles C4'-P-C4' energy: -157.540 flat angles P-C4'-P energy: -105.467 tors. eta vs tors. theta energy: -222.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2533.328855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.328855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.328855 (E_RNA) where: Base-Base interactions energy: -1798.142 where: short stacking energy: -744.183 Base-Backbone interact. energy: -2.248 local terms energy: -732.938721 where: bonds (distance) C4'-P energy: -127.935 bonds (distance) P-C4' energy: -113.459 flat angles C4'-P-C4' energy: -160.214 flat angles P-C4'-P energy: -111.419 tors. eta vs tors. theta energy: -219.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2455.396230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.396230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.396230 (E_RNA) where: Base-Base interactions energy: -1760.739 where: short stacking energy: -725.696 Base-Backbone interact. energy: -1.856 local terms energy: -692.801516 where: bonds (distance) C4'-P energy: -109.664 bonds (distance) P-C4' energy: -105.028 flat angles C4'-P-C4' energy: -159.374 flat angles P-C4'-P energy: -102.035 tors. eta vs tors. theta energy: -216.700 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: 4, replica: 7 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2229.330447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.330447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.330447 (E_RNA) where: Base-Base interactions energy: -1558.682 where: short stacking energy: -671.087 Base-Backbone interact. energy: -2.852 local terms energy: -667.796893 where: bonds (distance) C4'-P energy: -119.110 bonds (distance) P-C4' energy: -123.825 flat angles C4'-P-C4' energy: -132.337 flat angles P-C4'-P energy: -95.490 tors. eta vs tors. theta energy: -197.034 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: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2232.820270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.820270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.820270 (E_RNA) where: Base-Base interactions energy: -1528.752 where: short stacking energy: -652.761 Base-Backbone interact. energy: 0.339 local terms energy: -704.407698 where: bonds (distance) C4'-P energy: -120.649 bonds (distance) P-C4' energy: -135.134 flat angles C4'-P-C4' energy: -148.788 flat angles P-C4'-P energy: -91.636 tors. eta vs tors. theta energy: -208.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2026.680711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.680711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.680711 (E_RNA) where: Base-Base interactions energy: -1423.854 where: short stacking energy: -582.884 Base-Backbone interact. energy: 0.795 local terms energy: -603.621944 where: bonds (distance) C4'-P energy: -120.874 bonds (distance) P-C4' energy: -115.937 flat angles C4'-P-C4' energy: -138.247 flat angles P-C4'-P energy: -76.209 tors. eta vs tors. theta energy: -152.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1846.727044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.727044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.727044 (E_RNA) where: Base-Base interactions energy: -1258.546 where: short stacking energy: -556.725 Base-Backbone interact. energy: -0.761 local terms energy: -587.420492 where: bonds (distance) C4'-P energy: -118.819 bonds (distance) P-C4' energy: -128.022 flat angles C4'-P-C4' energy: -123.273 flat angles P-C4'-P energy: -76.701 tors. eta vs tors. theta energy: -140.606 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: 8, replica: 2 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1750.863182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.863182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.863182 (E_RNA) where: Base-Base interactions energy: -1215.996 where: short stacking energy: -502.648 Base-Backbone interact. energy: -0.331 local terms energy: -534.536724 where: bonds (distance) C4'-P energy: -112.577 bonds (distance) P-C4' energy: -114.216 flat angles C4'-P-C4' energy: -120.268 flat angles P-C4'-P energy: -64.733 tors. eta vs tors. theta energy: -122.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1386.505969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.505969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.505969 (E_RNA) where: Base-Base interactions energy: -902.701 where: short stacking energy: -405.507 Base-Backbone interact. energy: 3.040 local terms energy: -486.844803 where: bonds (distance) C4'-P energy: -97.465 bonds (distance) P-C4' energy: -105.760 flat angles C4'-P-C4' energy: -115.631 flat angles P-C4'-P energy: -83.222 tors. eta vs tors. theta energy: -84.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1169.968388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.968388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.968388 (E_RNA) where: Base-Base interactions energy: -726.239 where: short stacking energy: -296.171 Base-Backbone interact. energy: 1.185 local terms energy: -444.914647 where: bonds (distance) C4'-P energy: -109.532 bonds (distance) P-C4' energy: -118.848 flat angles C4'-P-C4' energy: -106.868 flat angles P-C4'-P energy: -71.575 tors. eta vs tors. theta energy: -38.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2641.114323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.114323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.114323 (E_RNA) where: Base-Base interactions energy: -1885.158 where: short stacking energy: -761.061 Base-Backbone interact. energy: -2.077 local terms energy: -753.879899 where: bonds (distance) C4'-P energy: -134.470 bonds (distance) P-C4' energy: -129.644 flat angles C4'-P-C4' energy: -155.119 flat angles P-C4'-P energy: -112.518 tors. eta vs tors. theta energy: -222.129 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: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2559.117130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.117130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.117130 (E_RNA) where: Base-Base interactions energy: -1829.373 where: short stacking energy: -735.939 Base-Backbone interact. energy: 0.767 local terms energy: -730.511627 where: bonds (distance) C4'-P energy: -134.304 bonds (distance) P-C4' energy: -128.642 flat angles C4'-P-C4' energy: -147.376 flat angles P-C4'-P energy: -94.457 tors. eta vs tors. theta energy: -225.733 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: 3, replica: 1 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2440.645382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.645382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.645382 (E_RNA) where: Base-Base interactions energy: -1716.092 where: short stacking energy: -727.157 Base-Backbone interact. energy: -2.286 local terms energy: -722.267546 where: bonds (distance) C4'-P energy: -121.256 bonds (distance) P-C4' energy: -118.964 flat angles C4'-P-C4' energy: -163.609 flat angles P-C4'-P energy: -107.831 tors. eta vs tors. theta energy: -210.608 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: 7 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2258.884678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.884678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.884678 (E_RNA) where: Base-Base interactions energy: -1583.962 where: short stacking energy: -674.631 Base-Backbone interact. energy: -0.402 local terms energy: -674.520718 where: bonds (distance) C4'-P energy: -111.128 bonds (distance) P-C4' energy: -119.369 flat angles C4'-P-C4' energy: -149.447 flat angles P-C4'-P energy: -98.852 tors. eta vs tors. theta energy: -195.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2221.602150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.602150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.602150 (E_RNA) where: Base-Base interactions energy: -1533.320 where: short stacking energy: -648.397 Base-Backbone interact. energy: -3.423 local terms energy: -684.859512 where: bonds (distance) C4'-P energy: -132.238 bonds (distance) P-C4' energy: -123.504 flat angles C4'-P-C4' energy: -114.336 flat angles P-C4'-P energy: -106.932 tors. eta vs tors. theta energy: -207.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2016.721922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.721922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.721922 (E_RNA) where: Base-Base interactions energy: -1378.990 where: short stacking energy: -594.697 Base-Backbone interact. energy: -2.084 local terms energy: -635.648105 where: bonds (distance) C4'-P energy: -118.448 bonds (distance) P-C4' energy: -126.868 flat angles C4'-P-C4' energy: -148.118 flat angles P-C4'-P energy: -76.253 tors. eta vs tors. theta energy: -165.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1846.941091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.941091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.941091 (E_RNA) where: Base-Base interactions energy: -1244.334 where: short stacking energy: -519.678 Base-Backbone interact. energy: 1.312 local terms energy: -603.919062 where: bonds (distance) C4'-P energy: -117.402 bonds (distance) P-C4' energy: -121.605 flat angles C4'-P-C4' energy: -133.563 flat angles P-C4'-P energy: -88.260 tors. eta vs tors. theta energy: -143.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1765.128853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.128853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.128853 (E_RNA) where: Base-Base interactions energy: -1209.397 where: short stacking energy: -504.216 Base-Backbone interact. energy: -1.169 local terms energy: -554.563078 where: bonds (distance) C4'-P energy: -114.761 bonds (distance) P-C4' energy: -104.449 flat angles C4'-P-C4' energy: -115.288 flat angles P-C4'-P energy: -85.379 tors. eta vs tors. theta energy: -134.685 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: 8 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1396.666346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.666346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.666346 (E_RNA) where: Base-Base interactions energy: -922.219 where: short stacking energy: -390.907 Base-Backbone interact. energy: 1.549 local terms energy: -475.996108 where: bonds (distance) C4'-P energy: -114.450 bonds (distance) P-C4' energy: -101.840 flat angles C4'-P-C4' energy: -116.182 flat angles P-C4'-P energy: -62.231 tors. eta vs tors. theta energy: -81.294 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: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -1238.754997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.754997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.754997 (E_RNA) where: Base-Base interactions energy: -798.737 where: short stacking energy: -347.527 Base-Backbone interact. energy: 0.505 local terms energy: -440.523247 where: bonds (distance) C4'-P energy: -95.933 bonds (distance) P-C4' energy: -128.309 flat angles C4'-P-C4' energy: -102.010 flat angles P-C4'-P energy: -65.754 tors. eta vs tors. theta energy: -48.517 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: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2653.818948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.818948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.818948 (E_RNA) where: Base-Base interactions energy: -1913.079 where: short stacking energy: -765.218 Base-Backbone interact. energy: 2.365 local terms energy: -743.104957 where: bonds (distance) C4'-P energy: -128.400 bonds (distance) P-C4' energy: -129.893 flat angles C4'-P-C4' energy: -156.371 flat angles P-C4'-P energy: -115.613 tors. eta vs tors. theta energy: -212.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2568.308967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.308967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.308967 (E_RNA) where: Base-Base interactions energy: -1830.595 where: short stacking energy: -729.148 Base-Backbone interact. energy: 0.970 local terms energy: -738.683717 where: bonds (distance) C4'-P energy: -131.172 bonds (distance) P-C4' energy: -132.391 flat angles C4'-P-C4' energy: -149.770 flat angles P-C4'-P energy: -104.409 tors. eta vs tors. theta energy: -220.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2467.647512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.647512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.647512 (E_RNA) where: Base-Base interactions energy: -1736.133 where: short stacking energy: -729.570 Base-Backbone interact. energy: 0.272 local terms energy: -731.787172 where: bonds (distance) C4'-P energy: -122.702 bonds (distance) P-C4' energy: -129.618 flat angles C4'-P-C4' energy: -143.568 flat angles P-C4'-P energy: -105.739 tors. eta vs tors. theta energy: -230.161 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: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2286.575806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.575806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.575806 (E_RNA) where: Base-Base interactions energy: -1620.822 where: short stacking energy: -675.067 Base-Backbone interact. energy: -2.604 local terms energy: -663.149842 where: bonds (distance) C4'-P energy: -122.503 bonds (distance) P-C4' energy: -111.385 flat angles C4'-P-C4' energy: -138.793 flat angles P-C4'-P energy: -94.337 tors. eta vs tors. theta energy: -196.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2220.291663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.291663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.291663 (E_RNA) where: Base-Base interactions energy: -1532.914 where: short stacking energy: -642.825 Base-Backbone interact. energy: -3.227 local terms energy: -684.149985 where: bonds (distance) C4'-P energy: -133.045 bonds (distance) P-C4' energy: -115.856 flat angles C4'-P-C4' energy: -136.704 flat angles P-C4'-P energy: -100.513 tors. eta vs tors. theta energy: -198.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2022.799896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.799896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.799896 (E_RNA) where: Base-Base interactions energy: -1386.345 where: short stacking energy: -579.534 Base-Backbone interact. energy: -3.660 local terms energy: -632.794982 where: bonds (distance) C4'-P energy: -128.364 bonds (distance) P-C4' energy: -113.082 flat angles C4'-P-C4' energy: -127.150 flat angles P-C4'-P energy: -100.966 tors. eta vs tors. theta energy: -163.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1865.478349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.478349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.478349 (E_RNA) where: Base-Base interactions energy: -1301.923 where: short stacking energy: -550.022 Base-Backbone interact. energy: -2.792 local terms energy: -560.764130 where: bonds (distance) C4'-P energy: -107.223 bonds (distance) P-C4' energy: -115.152 flat angles C4'-P-C4' energy: -117.405 flat angles P-C4'-P energy: -76.447 tors. eta vs tors. theta energy: -144.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1785.386740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.386740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.386740 (E_RNA) where: Base-Base interactions energy: -1218.062 where: short stacking energy: -531.727 Base-Backbone interact. energy: -0.661 local terms energy: -566.663405 where: bonds (distance) C4'-P energy: -110.746 bonds (distance) P-C4' energy: -95.050 flat angles C4'-P-C4' energy: -133.770 flat angles P-C4'-P energy: -79.035 tors. eta vs tors. theta energy: -148.062 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: 9, replica: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1475.559357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.559357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.559357 (E_RNA) where: Base-Base interactions energy: -1003.661 where: short stacking energy: -432.782 Base-Backbone interact. energy: 2.673 local terms energy: -474.572132 where: bonds (distance) C4'-P energy: -104.584 bonds (distance) P-C4' energy: -112.086 flat angles C4'-P-C4' energy: -105.238 flat angles P-C4'-P energy: -59.264 tors. eta vs tors. theta energy: -93.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1213.809637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.809637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.809637 (E_RNA) where: Base-Base interactions energy: -792.633 where: short stacking energy: -322.839 Base-Backbone interact. energy: -1.664 local terms energy: -419.512889 where: bonds (distance) C4'-P energy: -105.428 bonds (distance) P-C4' energy: -115.065 flat angles C4'-P-C4' energy: -98.342 flat angles P-C4'-P energy: -50.878 tors. eta vs tors. theta energy: -49.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2630.382306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.382306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.382306 (E_RNA) where: Base-Base interactions energy: -1870.009 where: short stacking energy: -740.387 Base-Backbone interact. energy: -2.390 local terms energy: -757.983634 where: bonds (distance) C4'-P energy: -133.165 bonds (distance) P-C4' energy: -135.245 flat angles C4'-P-C4' energy: -158.254 flat angles P-C4'-P energy: -117.099 tors. eta vs tors. theta energy: -214.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2551.816098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.816098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.816098 (E_RNA) where: Base-Base interactions energy: -1813.334 where: short stacking energy: -737.332 Base-Backbone interact. energy: -0.414 local terms energy: -738.068291 where: bonds (distance) C4'-P energy: -132.148 bonds (distance) P-C4' energy: -140.615 flat angles C4'-P-C4' energy: -139.539 flat angles P-C4'-P energy: -103.526 tors. eta vs tors. theta energy: -222.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2477.860979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.860979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.860979 (E_RNA) where: Base-Base interactions energy: -1733.018 where: short stacking energy: -734.354 Base-Backbone interact. energy: -3.727 local terms energy: -741.116136 where: bonds (distance) C4'-P energy: -122.002 bonds (distance) P-C4' energy: -139.147 flat angles C4'-P-C4' energy: -149.791 flat angles P-C4'-P energy: -106.916 tors. eta vs tors. theta energy: -223.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2295.268654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.268654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.268654 (E_RNA) where: Base-Base interactions energy: -1610.265 where: short stacking energy: -670.104 Base-Backbone interact. energy: -1.498 local terms energy: -683.505140 where: bonds (distance) C4'-P energy: -116.987 bonds (distance) P-C4' energy: -124.588 flat angles C4'-P-C4' energy: -148.627 flat angles P-C4'-P energy: -95.561 tors. eta vs tors. theta energy: -197.742 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: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2251.181097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.181097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.181097 (E_RNA) where: Base-Base interactions energy: -1558.033 where: short stacking energy: -638.930 Base-Backbone interact. energy: -1.372 local terms energy: -691.776234 where: bonds (distance) C4'-P energy: -126.644 bonds (distance) P-C4' energy: -121.340 flat angles C4'-P-C4' energy: -154.741 flat angles P-C4'-P energy: -96.229 tors. eta vs tors. theta energy: -192.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2035.719977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.719977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.719977 (E_RNA) where: Base-Base interactions energy: -1436.707 where: short stacking energy: -570.894 Base-Backbone interact. energy: -2.374 local terms energy: -596.638570 where: bonds (distance) C4'-P energy: -106.370 bonds (distance) P-C4' energy: -114.984 flat angles C4'-P-C4' energy: -132.564 flat angles P-C4'-P energy: -86.038 tors. eta vs tors. theta energy: -156.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1855.006480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.006480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.006480 (E_RNA) where: Base-Base interactions energy: -1264.653 where: short stacking energy: -534.774 Base-Backbone interact. energy: 1.237 local terms energy: -591.590604 where: bonds (distance) C4'-P energy: -106.989 bonds (distance) P-C4' energy: -125.714 flat angles C4'-P-C4' energy: -131.965 flat angles P-C4'-P energy: -81.537 tors. eta vs tors. theta energy: -145.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1765.081678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.081678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.081678 (E_RNA) where: Base-Base interactions energy: -1214.756 where: short stacking energy: -488.779 Base-Backbone interact. energy: -1.131 local terms energy: -549.194651 where: bonds (distance) C4'-P energy: -110.297 bonds (distance) P-C4' energy: -115.242 flat angles C4'-P-C4' energy: -120.151 flat angles P-C4'-P energy: -68.749 tors. eta vs tors. theta energy: -134.756 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: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1476.828596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.828596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.828596 (E_RNA) where: Base-Base interactions energy: -1007.248 where: short stacking energy: -434.438 Base-Backbone interact. energy: -1.741 local terms energy: -467.839656 where: bonds (distance) C4'-P energy: -92.880 bonds (distance) P-C4' energy: -97.376 flat angles C4'-P-C4' energy: -117.960 flat angles P-C4'-P energy: -64.439 tors. eta vs tors. theta energy: -95.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -1124.749640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.749640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.749640 (E_RNA) where: Base-Base interactions energy: -717.335 where: short stacking energy: -296.360 Base-Backbone interact. energy: 0.378 local terms energy: -407.792473 where: bonds (distance) C4'-P energy: -111.572 bonds (distance) P-C4' energy: -102.492 flat angles C4'-P-C4' energy: -95.901 flat angles P-C4'-P energy: -59.593 tors. eta vs tors. theta energy: -38.235 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: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2660.043012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.043012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.043012 (E_RNA) where: Base-Base interactions energy: -1905.119 where: short stacking energy: -762.535 Base-Backbone interact. energy: -1.953 local terms energy: -752.971026 where: bonds (distance) C4'-P energy: -141.609 bonds (distance) P-C4' energy: -129.809 flat angles C4'-P-C4' energy: -157.056 flat angles P-C4'-P energy: -104.658 tors. eta vs tors. theta energy: -219.839 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: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2566.224514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.224514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.224514 (E_RNA) where: Base-Base interactions energy: -1794.487 where: short stacking energy: -735.372 Base-Backbone interact. energy: -0.592 local terms energy: -771.145256 where: bonds (distance) C4'-P energy: -138.212 bonds (distance) P-C4' energy: -143.817 flat angles C4'-P-C4' energy: -159.641 flat angles P-C4'-P energy: -104.480 tors. eta vs tors. theta energy: -224.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2471.489899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.489899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.489899 (E_RNA) where: Base-Base interactions energy: -1743.962 where: short stacking energy: -716.789 Base-Backbone interact. energy: 2.171 local terms energy: -729.699012 where: bonds (distance) C4'-P energy: -112.938 bonds (distance) P-C4' energy: -134.982 flat angles C4'-P-C4' energy: -152.109 flat angles P-C4'-P energy: -104.021 tors. eta vs tors. theta energy: -225.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2272.447529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.447529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.447529 (E_RNA) where: Base-Base interactions energy: -1573.960 where: short stacking energy: -669.520 Base-Backbone interact. energy: -1.020 local terms energy: -697.467698 where: bonds (distance) C4'-P energy: -111.117 bonds (distance) P-C4' energy: -137.184 flat angles C4'-P-C4' energy: -149.560 flat angles P-C4'-P energy: -93.327 tors. eta vs tors. theta energy: -206.279 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: 154 Temperature: 1.100000 Total energy: -2255.898128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.898128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.898128 (E_RNA) where: Base-Base interactions energy: -1567.723 where: short stacking energy: -650.346 Base-Backbone interact. energy: -2.031 local terms energy: -686.144309 where: bonds (distance) C4'-P energy: -117.138 bonds (distance) P-C4' energy: -117.954 flat angles C4'-P-C4' energy: -141.356 flat angles P-C4'-P energy: -102.699 tors. eta vs tors. theta energy: -206.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1972.279489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.279489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.279489 (E_RNA) where: Base-Base interactions energy: -1388.729 where: short stacking energy: -567.699 Base-Backbone interact. energy: -0.047 local terms energy: -583.503905 where: bonds (distance) C4'-P energy: -122.245 bonds (distance) P-C4' energy: -113.396 flat angles C4'-P-C4' energy: -123.802 flat angles P-C4'-P energy: -86.250 tors. eta vs tors. theta energy: -137.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1879.617031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.617031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.617031 (E_RNA) where: Base-Base interactions energy: -1267.134 where: short stacking energy: -525.821 Base-Backbone interact. energy: -6.033 local terms energy: -606.449920 where: bonds (distance) C4'-P energy: -124.274 bonds (distance) P-C4' energy: -114.101 flat angles C4'-P-C4' energy: -143.630 flat angles P-C4'-P energy: -77.164 tors. eta vs tors. theta energy: -147.281 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: 2 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1779.265556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.265556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.265556 (E_RNA) where: Base-Base interactions energy: -1213.786 where: short stacking energy: -488.475 Base-Backbone interact. energy: 1.089 local terms energy: -566.568353 where: bonds (distance) C4'-P energy: -107.791 bonds (distance) P-C4' energy: -116.301 flat angles C4'-P-C4' energy: -126.235 flat angles P-C4'-P energy: -85.943 tors. eta vs tors. theta energy: -130.298 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: 9, replica: 8 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1610.520661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.520661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.520661 (E_RNA) where: Base-Base interactions energy: -1127.375 where: short stacking energy: -466.815 Base-Backbone interact. energy: -2.864 local terms energy: -480.282211 where: bonds (distance) C4'-P energy: -108.094 bonds (distance) P-C4' energy: -111.451 flat angles C4'-P-C4' energy: -105.573 flat angles P-C4'-P energy: -59.075 tors. eta vs tors. theta energy: -96.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1175.506026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.506026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.506026 (E_RNA) where: Base-Base interactions energy: -736.992 where: short stacking energy: -309.957 Base-Backbone interact. energy: -3.614 local terms energy: -434.900106 where: bonds (distance) C4'-P energy: -95.488 bonds (distance) P-C4' energy: -118.845 flat angles C4'-P-C4' energy: -104.982 flat angles P-C4'-P energy: -61.361 tors. eta vs tors. theta energy: -54.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2633.491593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.491593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.491593 (E_RNA) where: Base-Base interactions energy: -1892.567 where: short stacking energy: -753.702 Base-Backbone interact. energy: -3.035 local terms energy: -737.890369 where: bonds (distance) C4'-P energy: -131.644 bonds (distance) P-C4' energy: -123.076 flat angles C4'-P-C4' energy: -149.117 flat angles P-C4'-P energy: -114.666 tors. eta vs tors. theta energy: -219.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2583.858861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.858861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.858861 (E_RNA) where: Base-Base interactions energy: -1833.980 where: short stacking energy: -756.489 Base-Backbone interact. energy: -1.148 local terms energy: -748.730717 where: bonds (distance) C4'-P energy: -129.706 bonds (distance) P-C4' energy: -133.609 flat angles C4'-P-C4' energy: -152.612 flat angles P-C4'-P energy: -106.923 tors. eta vs tors. theta energy: -225.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2486.537226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.537226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.537226 (E_RNA) where: Base-Base interactions energy: -1746.000 where: short stacking energy: -724.730 Base-Backbone interact. energy: 0.408 local terms energy: -740.944547 where: bonds (distance) C4'-P energy: -131.266 bonds (distance) P-C4' energy: -132.389 flat angles C4'-P-C4' energy: -146.095 flat angles P-C4'-P energy: -105.307 tors. eta vs tors. theta energy: -225.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2317.222762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.222762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.222762 (E_RNA) where: Base-Base interactions energy: -1599.234 where: short stacking energy: -680.501 Base-Backbone interact. energy: -3.230 local terms energy: -714.758912 where: bonds (distance) C4'-P energy: -124.722 bonds (distance) P-C4' energy: -137.678 flat angles C4'-P-C4' energy: -149.577 flat angles P-C4'-P energy: -104.226 tors. eta vs tors. theta energy: -198.556 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: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2277.846010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.846010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.846010 (E_RNA) where: Base-Base interactions energy: -1562.912 where: short stacking energy: -670.884 Base-Backbone interact. energy: -1.138 local terms energy: -713.796047 where: bonds (distance) C4'-P energy: -119.914 bonds (distance) P-C4' energy: -121.150 flat angles C4'-P-C4' energy: -161.241 flat angles P-C4'-P energy: -95.258 tors. eta vs tors. theta energy: -216.233 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: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2054.147591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.147591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.147591 (E_RNA) where: Base-Base interactions energy: -1453.812 where: short stacking energy: -582.788 Base-Backbone interact. energy: -3.233 local terms energy: -597.102596 where: bonds (distance) C4'-P energy: -102.607 bonds (distance) P-C4' energy: -108.480 flat angles C4'-P-C4' energy: -145.271 flat angles P-C4'-P energy: -82.074 tors. eta vs tors. theta energy: -158.671 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: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1836.103346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.103346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.103346 (E_RNA) where: Base-Base interactions energy: -1262.036 where: short stacking energy: -555.497 Base-Backbone interact. energy: -3.245 local terms energy: -570.821719 where: bonds (distance) C4'-P energy: -89.859 bonds (distance) P-C4' energy: -107.484 flat angles C4'-P-C4' energy: -142.907 flat angles P-C4'-P energy: -77.385 tors. eta vs tors. theta energy: -153.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1807.985039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.985039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.985039 (E_RNA) where: Base-Base interactions energy: -1219.487 where: short stacking energy: -526.497 Base-Backbone interact. energy: -1.246 local terms energy: -587.252197 where: bonds (distance) C4'-P energy: -115.916 bonds (distance) P-C4' energy: -103.336 flat angles C4'-P-C4' energy: -130.606 flat angles P-C4'-P energy: -95.276 tors. eta vs tors. theta energy: -142.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1518.876076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.876076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.876076 (E_RNA) where: Base-Base interactions energy: -1024.781 where: short stacking energy: -440.634 Base-Backbone interact. energy: -4.492 local terms energy: -489.603362 where: bonds (distance) C4'-P energy: -119.089 bonds (distance) P-C4' energy: -100.588 flat angles C4'-P-C4' energy: -115.305 flat angles P-C4'-P energy: -66.861 tors. eta vs tors. theta energy: -87.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1193.575547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.575547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.575547 (E_RNA) where: Base-Base interactions energy: -757.233 where: short stacking energy: -337.657 Base-Backbone interact. energy: -0.186 local terms energy: -436.156495 where: bonds (distance) C4'-P energy: -109.315 bonds (distance) P-C4' energy: -114.362 flat angles C4'-P-C4' energy: -105.083 flat angles P-C4'-P energy: -59.843 tors. eta vs tors. theta energy: -47.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2655.265977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.265977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.265977 (E_RNA) where: Base-Base interactions energy: -1902.186 where: short stacking energy: -777.860 Base-Backbone interact. energy: 6.237 local terms energy: -759.317208 where: bonds (distance) C4'-P energy: -142.628 bonds (distance) P-C4' energy: -131.187 flat angles C4'-P-C4' energy: -155.916 flat angles P-C4'-P energy: -101.955 tors. eta vs tors. theta energy: -227.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2550.981403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.981403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.981403 (E_RNA) where: Base-Base interactions energy: -1782.760 where: short stacking energy: -729.130 Base-Backbone interact. energy: -1.494 local terms energy: -766.726694 where: bonds (distance) C4'-P energy: -135.709 bonds (distance) P-C4' energy: -132.930 flat angles C4'-P-C4' energy: -164.743 flat angles P-C4'-P energy: -105.063 tors. eta vs tors. theta energy: -228.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2508.467863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.467863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.467863 (E_RNA) where: Base-Base interactions energy: -1782.853 where: short stacking energy: -716.608 Base-Backbone interact. energy: -3.451 local terms energy: -722.163703 where: bonds (distance) C4'-P energy: -121.015 bonds (distance) P-C4' energy: -116.393 flat angles C4'-P-C4' energy: -158.013 flat angles P-C4'-P energy: -106.189 tors. eta vs tors. theta energy: -220.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2303.983047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.983047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.983047 (E_RNA) where: Base-Base interactions energy: -1634.597 where: short stacking energy: -670.335 Base-Backbone interact. energy: -1.280 local terms energy: -668.106527 where: bonds (distance) C4'-P energy: -104.274 bonds (distance) P-C4' energy: -143.248 flat angles C4'-P-C4' energy: -129.613 flat angles P-C4'-P energy: -93.356 tors. eta vs tors. theta energy: -197.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2258.930514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.930514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.930514 (E_RNA) where: Base-Base interactions energy: -1598.718 where: short stacking energy: -686.295 Base-Backbone interact. energy: -0.564 local terms energy: -659.649487 where: bonds (distance) C4'-P energy: -113.944 bonds (distance) P-C4' energy: -103.107 flat angles C4'-P-C4' energy: -148.037 flat angles P-C4'-P energy: -93.662 tors. eta vs tors. theta energy: -200.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1970.384853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.384853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.384853 (E_RNA) where: Base-Base interactions energy: -1402.300 where: short stacking energy: -560.225 Base-Backbone interact. energy: 0.442 local terms energy: -568.527400 where: bonds (distance) C4'-P energy: -95.566 bonds (distance) P-C4' energy: -116.155 flat angles C4'-P-C4' energy: -135.244 flat angles P-C4'-P energy: -75.365 tors. eta vs tors. theta energy: -146.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1872.519159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.519159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.519159 (E_RNA) where: Base-Base interactions energy: -1259.294 where: short stacking energy: -527.653 Base-Backbone interact. energy: -2.750 local terms energy: -610.474954 where: bonds (distance) C4'-P energy: -122.401 bonds (distance) P-C4' energy: -115.990 flat angles C4'-P-C4' energy: -112.925 flat angles P-C4'-P energy: -94.583 tors. eta vs tors. theta energy: -164.577 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: 8, replica: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1807.446844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.446844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.446844 (E_RNA) where: Base-Base interactions energy: -1232.599 where: short stacking energy: -509.555 Base-Backbone interact. energy: -0.245 local terms energy: -574.602161 where: bonds (distance) C4'-P energy: -114.425 bonds (distance) P-C4' energy: -131.026 flat angles C4'-P-C4' energy: -110.075 flat angles P-C4'-P energy: -84.172 tors. eta vs tors. theta energy: -134.904 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: 8 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1535.868158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.868158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.868158 (E_RNA) where: Base-Base interactions energy: -1006.986 where: short stacking energy: -442.883 Base-Backbone interact. energy: 0.157 local terms energy: -529.038742 where: bonds (distance) C4'-P energy: -107.072 bonds (distance) P-C4' energy: -117.097 flat angles C4'-P-C4' energy: -129.449 flat angles P-C4'-P energy: -81.746 tors. eta vs tors. theta energy: -93.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -1199.101161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.101161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.101161 (E_RNA) where: Base-Base interactions energy: -756.748 where: short stacking energy: -325.460 Base-Backbone interact. energy: -1.702 local terms energy: -440.650895 where: bonds (distance) C4'-P energy: -94.607 bonds (distance) P-C4' energy: -130.958 flat angles C4'-P-C4' energy: -101.180 flat angles P-C4'-P energy: -68.426 tors. eta vs tors. theta energy: -45.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2641.611254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.611254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.611254 (E_RNA) where: Base-Base interactions energy: -1873.235 where: short stacking energy: -777.720 Base-Backbone interact. energy: -2.019 local terms energy: -766.357179 where: bonds (distance) C4'-P energy: -129.773 bonds (distance) P-C4' energy: -136.968 flat angles C4'-P-C4' energy: -159.142 flat angles P-C4'-P energy: -114.466 tors. eta vs tors. theta energy: -226.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2559.539760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.539760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.539760 (E_RNA) where: Base-Base interactions energy: -1802.308 where: short stacking energy: -730.912 Base-Backbone interact. energy: -2.817 local terms energy: -754.415474 where: bonds (distance) C4'-P energy: -127.801 bonds (distance) P-C4' energy: -144.038 flat angles C4'-P-C4' energy: -145.359 flat angles P-C4'-P energy: -111.944 tors. eta vs tors. theta energy: -225.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2510.513058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.513058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.513058 (E_RNA) where: Base-Base interactions energy: -1766.371 where: short stacking energy: -748.157 Base-Backbone interact. energy: 7.719 local terms energy: -751.861151 where: bonds (distance) C4'-P energy: -122.866 bonds (distance) P-C4' energy: -124.744 flat angles C4'-P-C4' energy: -160.592 flat angles P-C4'-P energy: -111.607 tors. eta vs tors. theta energy: -232.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2268.421611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.421611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.421611 (E_RNA) where: Base-Base interactions energy: -1591.653 where: short stacking energy: -660.040 Base-Backbone interact. energy: -2.976 local terms energy: -673.793270 where: bonds (distance) C4'-P energy: -114.674 bonds (distance) P-C4' energy: -118.480 flat angles C4'-P-C4' energy: -155.663 flat angles P-C4'-P energy: -94.959 tors. eta vs tors. theta energy: -190.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2224.968978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.968978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.968978 (E_RNA) where: Base-Base interactions energy: -1575.707 where: short stacking energy: -662.101 Base-Backbone interact. energy: 0.328 local terms energy: -649.589727 where: bonds (distance) C4'-P energy: -106.452 bonds (distance) P-C4' energy: -122.977 flat angles C4'-P-C4' energy: -144.734 flat angles P-C4'-P energy: -70.600 tors. eta vs tors. theta energy: -204.826 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: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2004.031266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.031266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.031266 (E_RNA) where: Base-Base interactions energy: -1394.298 where: short stacking energy: -585.236 Base-Backbone interact. energy: 0.686 local terms energy: -610.419021 where: bonds (distance) C4'-P energy: -98.025 bonds (distance) P-C4' energy: -119.773 flat angles C4'-P-C4' energy: -130.756 flat angles P-C4'-P energy: -94.375 tors. eta vs tors. theta energy: -167.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1897.442721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.442721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.442721 (E_RNA) where: Base-Base interactions energy: -1300.999 where: short stacking energy: -544.241 Base-Backbone interact. energy: -1.309 local terms energy: -595.135187 where: bonds (distance) C4'-P energy: -105.166 bonds (distance) P-C4' energy: -121.069 flat angles C4'-P-C4' energy: -126.263 flat angles P-C4'-P energy: -66.818 tors. eta vs tors. theta energy: -175.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1735.862056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.862056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.862056 (E_RNA) where: Base-Base interactions energy: -1198.667 where: short stacking energy: -503.883 Base-Backbone interact. energy: -3.200 local terms energy: -533.995478 where: bonds (distance) C4'-P energy: -113.205 bonds (distance) P-C4' energy: -95.232 flat angles C4'-P-C4' energy: -121.280 flat angles P-C4'-P energy: -76.895 tors. eta vs tors. theta energy: -127.382 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: 8 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1568.354611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.354611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.354611 (E_RNA) where: Base-Base interactions energy: -1072.474 where: short stacking energy: -434.806 Base-Backbone interact. energy: 3.565 local terms energy: -499.445000 where: bonds (distance) C4'-P energy: -110.841 bonds (distance) P-C4' energy: -112.537 flat angles C4'-P-C4' energy: -118.785 flat angles P-C4'-P energy: -59.945 tors. eta vs tors. theta energy: -97.337 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: 10, replica: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1244.787566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.787566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.787566 (E_RNA) where: Base-Base interactions energy: -814.846 where: short stacking energy: -359.942 Base-Backbone interact. energy: 3.758 local terms energy: -433.699243 where: bonds (distance) C4'-P energy: -109.408 bonds (distance) P-C4' energy: -114.743 flat angles C4'-P-C4' energy: -96.168 flat angles P-C4'-P energy: -62.486 tors. eta vs tors. theta energy: -50.895 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: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2614.403603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.403603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.403603 (E_RNA) where: Base-Base interactions energy: -1870.185 where: short stacking energy: -750.780 Base-Backbone interact. energy: -1.988 local terms energy: -742.230522 where: bonds (distance) C4'-P energy: -122.117 bonds (distance) P-C4' energy: -136.238 flat angles C4'-P-C4' energy: -158.738 flat angles P-C4'-P energy: -98.857 tors. eta vs tors. theta energy: -226.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2545.823350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.823350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.823350 (E_RNA) where: Base-Base interactions energy: -1809.794 where: short stacking energy: -715.991 Base-Backbone interact. energy: -2.501 local terms energy: -733.528116 where: bonds (distance) C4'-P energy: -126.211 bonds (distance) P-C4' energy: -125.453 flat angles C4'-P-C4' energy: -149.945 flat angles P-C4'-P energy: -107.641 tors. eta vs tors. theta energy: -224.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2501.163784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.163784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.163784 (E_RNA) where: Base-Base interactions energy: -1764.241 where: short stacking energy: -727.017 Base-Backbone interact. energy: -1.986 local terms energy: -734.937162 where: bonds (distance) C4'-P energy: -115.295 bonds (distance) P-C4' energy: -126.819 flat angles C4'-P-C4' energy: -160.510 flat angles P-C4'-P energy: -113.370 tors. eta vs tors. theta energy: -218.943 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: 158 Temperature: 1.050000 Total energy: -2235.155966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.155966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.155966 (E_RNA) where: Base-Base interactions energy: -1544.217 where: short stacking energy: -670.063 Base-Backbone interact. energy: 0.957 local terms energy: -691.896557 where: bonds (distance) C4'-P energy: -120.536 bonds (distance) P-C4' energy: -133.806 flat angles C4'-P-C4' energy: -148.827 flat angles P-C4'-P energy: -99.024 tors. eta vs tors. theta energy: -189.703 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: 5 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2193.395491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.395491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.395491 (E_RNA) where: Base-Base interactions energy: -1522.874 where: short stacking energy: -654.506 Base-Backbone interact. energy: -3.797 local terms energy: -666.724487 where: bonds (distance) C4'-P energy: -111.937 bonds (distance) P-C4' energy: -121.942 flat angles C4'-P-C4' energy: -147.936 flat angles P-C4'-P energy: -85.677 tors. eta vs tors. theta energy: -199.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1977.282115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.282115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.282115 (E_RNA) where: Base-Base interactions energy: -1397.919 where: short stacking energy: -589.814 Base-Backbone interact. energy: -3.360 local terms energy: -576.003509 where: bonds (distance) C4'-P energy: -119.938 bonds (distance) P-C4' energy: -95.543 flat angles C4'-P-C4' energy: -120.380 flat angles P-C4'-P energy: -78.105 tors. eta vs tors. theta energy: -162.037 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: 7, replica: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1810.298384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.298384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.298384 (E_RNA) where: Base-Base interactions energy: -1244.601 where: short stacking energy: -527.552 Base-Backbone interact. energy: -3.644 local terms energy: -562.052879 where: bonds (distance) C4'-P energy: -117.093 bonds (distance) P-C4' energy: -106.603 flat angles C4'-P-C4' energy: -118.053 flat angles P-C4'-P energy: -86.237 tors. eta vs tors. theta energy: -134.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1821.014516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.014516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.014516 (E_RNA) where: Base-Base interactions energy: -1248.651 where: short stacking energy: -536.359 Base-Backbone interact. energy: 0.052 local terms energy: -572.414571 where: bonds (distance) C4'-P energy: -107.617 bonds (distance) P-C4' energy: -111.581 flat angles C4'-P-C4' energy: -123.015 flat angles P-C4'-P energy: -83.768 tors. eta vs tors. theta energy: -146.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1555.486754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.486754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.486754 (E_RNA) where: Base-Base interactions energy: -1051.425 where: short stacking energy: -438.859 Base-Backbone interact. energy: -1.002 local terms energy: -503.060601 where: bonds (distance) C4'-P energy: -102.497 bonds (distance) P-C4' energy: -126.206 flat angles C4'-P-C4' energy: -117.666 flat angles P-C4'-P energy: -62.335 tors. eta vs tors. theta energy: -94.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1245.752029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.752029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.752029 (E_RNA) where: Base-Base interactions energy: -789.772 where: short stacking energy: -339.854 Base-Backbone interact. energy: -2.524 local terms energy: -453.455432 where: bonds (distance) C4'-P energy: -104.711 bonds (distance) P-C4' energy: -119.878 flat angles C4'-P-C4' energy: -99.722 flat angles P-C4'-P energy: -70.333 tors. eta vs tors. theta energy: -58.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2655.060125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.060125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.060125 (E_RNA) where: Base-Base interactions energy: -1881.427 where: short stacking energy: -774.865 Base-Backbone interact. energy: -1.213 local terms energy: -772.419542 where: bonds (distance) C4'-P energy: -142.732 bonds (distance) P-C4' energy: -143.870 flat angles C4'-P-C4' energy: -161.453 flat angles P-C4'-P energy: -101.037 tors. eta vs tors. theta energy: -223.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2549.396741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.396741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.396741 (E_RNA) where: Base-Base interactions energy: -1812.870 where: short stacking energy: -731.944 Base-Backbone interact. energy: -0.677 local terms energy: -735.850265 where: bonds (distance) C4'-P energy: -130.651 bonds (distance) P-C4' energy: -128.147 flat angles C4'-P-C4' energy: -159.738 flat angles P-C4'-P energy: -92.222 tors. eta vs tors. theta energy: -225.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2451.164929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.164929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.164929 (E_RNA) where: Base-Base interactions energy: -1728.920 where: short stacking energy: -746.503 Base-Backbone interact. energy: -0.788 local terms energy: -721.456774 where: bonds (distance) C4'-P energy: -108.359 bonds (distance) P-C4' energy: -131.887 flat angles C4'-P-C4' energy: -164.456 flat angles P-C4'-P energy: -92.503 tors. eta vs tors. theta energy: -224.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2266.453848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.453848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.453848 (E_RNA) where: Base-Base interactions energy: -1563.915 where: short stacking energy: -663.934 Base-Backbone interact. energy: -1.597 local terms energy: -700.942545 where: bonds (distance) C4'-P energy: -123.352 bonds (distance) P-C4' energy: -136.834 flat angles C4'-P-C4' energy: -149.248 flat angles P-C4'-P energy: -91.207 tors. eta vs tors. theta energy: -200.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2174.570254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.570254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.570254 (E_RNA) where: Base-Base interactions energy: -1505.148 where: short stacking energy: -651.052 Base-Backbone interact. energy: 1.440 local terms energy: -670.862067 where: bonds (distance) C4'-P energy: -114.797 bonds (distance) P-C4' energy: -108.977 flat angles C4'-P-C4' energy: -151.694 flat angles P-C4'-P energy: -100.070 tors. eta vs tors. theta energy: -195.324 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: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1986.507492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.507492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.507492 (E_RNA) where: Base-Base interactions energy: -1379.065 where: short stacking energy: -582.836 Base-Backbone interact. energy: -2.175 local terms energy: -605.267409 where: bonds (distance) C4'-P energy: -119.179 bonds (distance) P-C4' energy: -119.008 flat angles C4'-P-C4' energy: -134.833 flat angles P-C4'-P energy: -72.223 tors. eta vs tors. theta energy: -160.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1855.559376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.559376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.559376 (E_RNA) where: Base-Base interactions energy: -1283.288 where: short stacking energy: -559.006 Base-Backbone interact. energy: 3.335 local terms energy: -575.606133 where: bonds (distance) C4'-P energy: -100.244 bonds (distance) P-C4' energy: -122.346 flat angles C4'-P-C4' energy: -123.631 flat angles P-C4'-P energy: -87.825 tors. eta vs tors. theta energy: -141.560 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: 159 Temperature: 1.250000 Total energy: -1847.206769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.206769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.206769 (E_RNA) where: Base-Base interactions energy: -1286.341 where: short stacking energy: -539.036 Base-Backbone interact. energy: -3.765 local terms energy: -557.100594 where: bonds (distance) C4'-P energy: -111.964 bonds (distance) P-C4' energy: -102.042 flat angles C4'-P-C4' energy: -127.887 flat angles P-C4'-P energy: -78.288 tors. eta vs tors. theta energy: -136.920 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: 159 Temperature: 1.300000 Total energy: -1614.634756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.634756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.634756 (E_RNA) where: Base-Base interactions energy: -1125.671 where: short stacking energy: -463.148 Base-Backbone interact. energy: -1.456 local terms energy: -487.507207 where: bonds (distance) C4'-P energy: -110.718 bonds (distance) P-C4' energy: -114.559 flat angles C4'-P-C4' energy: -97.837 flat angles P-C4'-P energy: -58.923 tors. eta vs tors. theta energy: -105.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1242.607065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.607065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.607065 (E_RNA) where: Base-Base interactions energy: -833.467 where: short stacking energy: -351.585 Base-Backbone interact. energy: -0.576 local terms energy: -408.564185 where: bonds (distance) C4'-P energy: -101.001 bonds (distance) P-C4' energy: -107.112 flat angles C4'-P-C4' energy: -102.113 flat angles P-C4'-P energy: -53.836 tors. eta vs tors. theta energy: -44.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2615.088737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.088737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.088737 (E_RNA) where: Base-Base interactions energy: -1852.061 where: short stacking energy: -762.143 Base-Backbone interact. energy: -1.940 local terms energy: -761.087784 where: bonds (distance) C4'-P energy: -128.988 bonds (distance) P-C4' energy: -136.601 flat angles C4'-P-C4' energy: -165.149 flat angles P-C4'-P energy: -113.838 tors. eta vs tors. theta energy: -216.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2551.028315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.028315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.028315 (E_RNA) where: Base-Base interactions energy: -1824.195 where: short stacking energy: -735.521 Base-Backbone interact. energy: -0.436 local terms energy: -726.398125 where: bonds (distance) C4'-P energy: -110.436 bonds (distance) P-C4' energy: -122.123 flat angles C4'-P-C4' energy: -166.361 flat angles P-C4'-P energy: -110.298 tors. eta vs tors. theta energy: -217.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2472.883581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.883581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.883581 (E_RNA) where: Base-Base interactions energy: -1741.685 where: short stacking energy: -743.083 Base-Backbone interact. energy: -1.916 local terms energy: -729.283126 where: bonds (distance) C4'-P energy: -120.595 bonds (distance) P-C4' energy: -116.342 flat angles C4'-P-C4' energy: -154.548 flat angles P-C4'-P energy: -110.581 tors. eta vs tors. theta energy: -227.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2291.065020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.065020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.065020 (E_RNA) where: Base-Base interactions energy: -1585.002 where: short stacking energy: -688.857 Base-Backbone interact. energy: 0.441 local terms energy: -706.504048 where: bonds (distance) C4'-P energy: -118.324 bonds (distance) P-C4' energy: -121.516 flat angles C4'-P-C4' energy: -149.461 flat angles P-C4'-P energy: -100.421 tors. eta vs tors. theta energy: -216.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2158.333745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.333745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.333745 (E_RNA) where: Base-Base interactions energy: -1509.444 where: short stacking energy: -648.294 Base-Backbone interact. energy: -1.603 local terms energy: -647.286188 where: bonds (distance) C4'-P energy: -122.617 bonds (distance) P-C4' energy: -130.068 flat angles C4'-P-C4' energy: -121.006 flat angles P-C4'-P energy: -83.374 tors. eta vs tors. theta energy: -190.221 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: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2040.235571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.235571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.235571 (E_RNA) where: Base-Base interactions energy: -1396.333 where: short stacking energy: -581.037 Base-Backbone interact. energy: 3.325 local terms energy: -647.227080 where: bonds (distance) C4'-P energy: -113.560 bonds (distance) P-C4' energy: -126.105 flat angles C4'-P-C4' energy: -138.911 flat angles P-C4'-P energy: -95.683 tors. eta vs tors. theta energy: -172.968 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: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1801.183770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.183770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.183770 (E_RNA) where: Base-Base interactions energy: -1241.111 where: short stacking energy: -544.686 Base-Backbone interact. energy: 3.042 local terms energy: -563.114773 where: bonds (distance) C4'-P energy: -117.453 bonds (distance) P-C4' energy: -97.053 flat angles C4'-P-C4' energy: -132.022 flat angles P-C4'-P energy: -76.565 tors. eta vs tors. theta energy: -140.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1798.417870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.417870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.417870 (E_RNA) where: Base-Base interactions energy: -1255.999 where: short stacking energy: -507.935 Base-Backbone interact. energy: 7.870 local terms energy: -550.288537 where: bonds (distance) C4'-P energy: -92.931 bonds (distance) P-C4' energy: -101.401 flat angles C4'-P-C4' energy: -134.555 flat angles P-C4'-P energy: -83.636 tors. eta vs tors. theta energy: -137.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1574.338995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.338995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.338995 (E_RNA) where: Base-Base interactions energy: -1085.803 where: short stacking energy: -439.185 Base-Backbone interact. energy: -1.669 local terms energy: -486.866159 where: bonds (distance) C4'-P energy: -85.284 bonds (distance) P-C4' energy: -109.256 flat angles C4'-P-C4' energy: -113.893 flat angles P-C4'-P energy: -75.181 tors. eta vs tors. theta energy: -103.252 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: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -1276.511923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.511923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.511923 (E_RNA) where: Base-Base interactions energy: -829.956 where: short stacking energy: -363.379 Base-Backbone interact. energy: 5.247 local terms energy: -451.803059 where: bonds (distance) C4'-P energy: -108.872 bonds (distance) P-C4' energy: -117.529 flat angles C4'-P-C4' energy: -98.694 flat angles P-C4'-P energy: -77.934 tors. eta vs tors. theta energy: -48.773 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: 10 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2617.765564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.765564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.765564 (E_RNA) where: Base-Base interactions energy: -1856.108 where: short stacking energy: -765.252 Base-Backbone interact. energy: 1.524 local terms energy: -763.181812 where: bonds (distance) C4'-P energy: -134.461 bonds (distance) P-C4' energy: -129.993 flat angles C4'-P-C4' energy: -161.822 flat angles P-C4'-P energy: -115.228 tors. eta vs tors. theta energy: -221.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2543.532812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.532812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.532812 (E_RNA) where: Base-Base interactions energy: -1788.792 where: short stacking energy: -743.791 Base-Backbone interact. energy: -0.914 local terms energy: -753.827614 where: bonds (distance) C4'-P energy: -131.485 bonds (distance) P-C4' energy: -136.248 flat angles C4'-P-C4' energy: -159.557 flat angles P-C4'-P energy: -97.929 tors. eta vs tors. theta energy: -228.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2478.195067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.195067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.195067 (E_RNA) where: Base-Base interactions energy: -1758.689 where: short stacking energy: -724.427 Base-Backbone interact. energy: -2.158 local terms energy: -717.348254 where: bonds (distance) C4'-P energy: -128.173 bonds (distance) P-C4' energy: -121.531 flat angles C4'-P-C4' energy: -152.710 flat angles P-C4'-P energy: -97.578 tors. eta vs tors. theta energy: -217.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2286.750615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.750615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.750615 (E_RNA) where: Base-Base interactions energy: -1606.537 where: short stacking energy: -691.418 Base-Backbone interact. energy: -1.060 local terms energy: -679.153701 where: bonds (distance) C4'-P energy: -107.421 bonds (distance) P-C4' energy: -128.507 flat angles C4'-P-C4' energy: -140.845 flat angles P-C4'-P energy: -91.731 tors. eta vs tors. theta energy: -210.650 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: 161 Temperature: 1.100000 Total energy: -2149.415298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.415298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.415298 (E_RNA) where: Base-Base interactions energy: -1503.585 where: short stacking energy: -636.250 Base-Backbone interact. energy: -3.713 local terms energy: -642.117137 where: bonds (distance) C4'-P energy: -128.975 bonds (distance) P-C4' energy: -112.276 flat angles C4'-P-C4' energy: -138.978 flat angles P-C4'-P energy: -75.631 tors. eta vs tors. theta energy: -186.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2041.389380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.389380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.389380 (E_RNA) where: Base-Base interactions energy: -1409.349 where: short stacking energy: -582.678 Base-Backbone interact. energy: -0.939 local terms energy: -631.101221 where: bonds (distance) C4'-P energy: -124.885 bonds (distance) P-C4' energy: -125.059 flat angles C4'-P-C4' energy: -136.253 flat angles P-C4'-P energy: -72.301 tors. eta vs tors. theta energy: -172.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1793.703827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.703827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.703827 (E_RNA) where: Base-Base interactions energy: -1252.245 where: short stacking energy: -520.401 Base-Backbone interact. energy: 1.016 local terms energy: -542.474483 where: bonds (distance) C4'-P energy: -86.918 bonds (distance) P-C4' energy: -124.116 flat angles C4'-P-C4' energy: -124.125 flat angles P-C4'-P energy: -74.433 tors. eta vs tors. theta energy: -132.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1781.590120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.590120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.590120 (E_RNA) where: Base-Base interactions energy: -1197.787 where: short stacking energy: -523.647 Base-Backbone interact. energy: -2.509 local terms energy: -581.294641 where: bonds (distance) C4'-P energy: -95.797 bonds (distance) P-C4' energy: -110.363 flat angles C4'-P-C4' energy: -135.489 flat angles P-C4'-P energy: -88.285 tors. eta vs tors. theta energy: -151.361 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: 161 Temperature: 1.300000 Total energy: -1616.538189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.538189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.538189 (E_RNA) where: Base-Base interactions energy: -1126.195 where: short stacking energy: -440.201 Base-Backbone interact. energy: 1.427 local terms energy: -491.770810 where: bonds (distance) C4'-P energy: -111.380 bonds (distance) P-C4' energy: -107.704 flat angles C4'-P-C4' energy: -101.649 flat angles P-C4'-P energy: -60.473 tors. eta vs tors. theta energy: -110.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1240.994446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.994446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.994446 (E_RNA) where: Base-Base interactions energy: -855.205 where: short stacking energy: -375.064 Base-Backbone interact. energy: 3.536 local terms energy: -389.325462 where: bonds (distance) C4'-P energy: -97.352 bonds (distance) P-C4' energy: -88.011 flat angles C4'-P-C4' energy: -88.593 flat angles P-C4'-P energy: -48.628 tors. eta vs tors. theta energy: -66.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2619.723365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.723365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.723365 (E_RNA) where: Base-Base interactions energy: -1866.816 where: short stacking energy: -773.057 Base-Backbone interact. energy: 0.228 local terms energy: -753.135164 where: bonds (distance) C4'-P energy: -129.041 bonds (distance) P-C4' energy: -140.381 flat angles C4'-P-C4' energy: -154.752 flat angles P-C4'-P energy: -109.286 tors. eta vs tors. theta energy: -219.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2535.224136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.224136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.224136 (E_RNA) where: Base-Base interactions energy: -1779.188 where: short stacking energy: -758.026 Base-Backbone interact. energy: -1.309 local terms energy: -754.727480 where: bonds (distance) C4'-P energy: -136.808 bonds (distance) P-C4' energy: -128.199 flat angles C4'-P-C4' energy: -157.222 flat angles P-C4'-P energy: -96.764 tors. eta vs tors. theta energy: -235.735 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: 9 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2442.903312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.903312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.903312 (E_RNA) where: Base-Base interactions energy: -1740.206 where: short stacking energy: -672.434 Base-Backbone interact. energy: -3.057 local terms energy: -699.640254 where: bonds (distance) C4'-P energy: -119.764 bonds (distance) P-C4' energy: -123.910 flat angles C4'-P-C4' energy: -152.259 flat angles P-C4'-P energy: -93.477 tors. eta vs tors. theta energy: -210.230 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: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2269.349134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.349134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.349134 (E_RNA) where: Base-Base interactions energy: -1566.655 where: short stacking energy: -683.834 Base-Backbone interact. energy: -0.866 local terms energy: -701.827331 where: bonds (distance) C4'-P energy: -123.272 bonds (distance) P-C4' energy: -132.011 flat angles C4'-P-C4' energy: -154.968 flat angles P-C4'-P energy: -89.714 tors. eta vs tors. theta energy: -201.863 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: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2113.810764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.810764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.810764 (E_RNA) where: Base-Base interactions energy: -1469.678 where: short stacking energy: -612.899 Base-Backbone interact. energy: -0.584 local terms energy: -643.548246 where: bonds (distance) C4'-P energy: -118.856 bonds (distance) P-C4' energy: -117.094 flat angles C4'-P-C4' energy: -151.215 flat angles P-C4'-P energy: -90.283 tors. eta vs tors. theta energy: -166.100 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: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2014.214618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.214618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.214618 (E_RNA) where: Base-Base interactions energy: -1382.959 where: short stacking energy: -581.189 Base-Backbone interact. energy: 2.083 local terms energy: -633.339002 where: bonds (distance) C4'-P energy: -121.026 bonds (distance) P-C4' energy: -122.032 flat angles C4'-P-C4' energy: -137.254 flat angles P-C4'-P energy: -93.341 tors. eta vs tors. theta energy: -159.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1880.910396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.910396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.910396 (E_RNA) where: Base-Base interactions energy: -1296.553 where: short stacking energy: -549.340 Base-Backbone interact. energy: -2.761 local terms energy: -581.597256 where: bonds (distance) C4'-P energy: -105.526 bonds (distance) P-C4' energy: -96.991 flat angles C4'-P-C4' energy: -135.714 flat angles P-C4'-P energy: -83.339 tors. eta vs tors. theta energy: -160.027 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: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1773.019004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.019004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.019004 (E_RNA) where: Base-Base interactions energy: -1190.780 where: short stacking energy: -494.671 Base-Backbone interact. energy: -1.610 local terms energy: -580.628773 where: bonds (distance) C4'-P energy: -99.163 bonds (distance) P-C4' energy: -122.459 flat angles C4'-P-C4' energy: -124.719 flat angles P-C4'-P energy: -88.123 tors. eta vs tors. theta energy: -146.165 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: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1641.084408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.084408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.084408 (E_RNA) where: Base-Base interactions energy: -1144.398 where: short stacking energy: -466.176 Base-Backbone interact. energy: -1.149 local terms energy: -495.537602 where: bonds (distance) C4'-P energy: -94.660 bonds (distance) P-C4' energy: -111.106 flat angles C4'-P-C4' energy: -114.009 flat angles P-C4'-P energy: -70.800 tors. eta vs tors. theta energy: -104.963 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: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -1329.706448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.706448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.706448 (E_RNA) where: Base-Base interactions energy: -852.734 where: short stacking energy: -338.357 Base-Backbone interact. energy: -2.176 local terms energy: -474.796603 where: bonds (distance) C4'-P energy: -106.775 bonds (distance) P-C4' energy: -113.221 flat angles C4'-P-C4' energy: -112.711 flat angles P-C4'-P energy: -67.543 tors. eta vs tors. theta energy: -74.546 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: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2657.740850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.740850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.740850 (E_RNA) where: Base-Base interactions energy: -1899.612 where: short stacking energy: -768.572 Base-Backbone interact. energy: 0.166 local terms energy: -758.294861 where: bonds (distance) C4'-P energy: -132.611 bonds (distance) P-C4' energy: -130.356 flat angles C4'-P-C4' energy: -163.906 flat angles P-C4'-P energy: -104.052 tors. eta vs tors. theta energy: -227.368 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: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2554.579285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.579285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.579285 (E_RNA) where: Base-Base interactions energy: -1797.417 where: short stacking energy: -749.936 Base-Backbone interact. energy: -1.582 local terms energy: -755.580610 where: bonds (distance) C4'-P energy: -124.882 bonds (distance) P-C4' energy: -131.137 flat angles C4'-P-C4' energy: -163.358 flat angles P-C4'-P energy: -105.014 tors. eta vs tors. theta energy: -231.190 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: 163 Temperature: 1.000000 Total energy: -2454.716057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.716057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.716057 (E_RNA) where: Base-Base interactions energy: -1737.141 where: short stacking energy: -698.875 Base-Backbone interact. energy: -0.066 local terms energy: -717.508762 where: bonds (distance) C4'-P energy: -136.111 bonds (distance) P-C4' energy: -121.538 flat angles C4'-P-C4' energy: -148.474 flat angles P-C4'-P energy: -101.654 tors. eta vs tors. theta energy: -209.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2304.939947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.939947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.939947 (E_RNA) where: Base-Base interactions energy: -1611.077 where: short stacking energy: -685.081 Base-Backbone interact. energy: -1.458 local terms energy: -692.404428 where: bonds (distance) C4'-P energy: -113.666 bonds (distance) P-C4' energy: -117.667 flat angles C4'-P-C4' energy: -144.375 flat angles P-C4'-P energy: -112.021 tors. eta vs tors. theta energy: -204.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2169.185080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.185080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.185080 (E_RNA) where: Base-Base interactions energy: -1503.930 where: short stacking energy: -664.216 Base-Backbone interact. energy: -3.384 local terms energy: -661.871288 where: bonds (distance) C4'-P energy: -106.319 bonds (distance) P-C4' energy: -122.387 flat angles C4'-P-C4' energy: -142.975 flat angles P-C4'-P energy: -100.494 tors. eta vs tors. theta energy: -189.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1999.573010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.573010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.573010 (E_RNA) where: Base-Base interactions energy: -1365.881 where: short stacking energy: -593.486 Base-Backbone interact. energy: 0.460 local terms energy: -634.152177 where: bonds (distance) C4'-P energy: -118.102 bonds (distance) P-C4' energy: -111.869 flat angles C4'-P-C4' energy: -136.406 flat angles P-C4'-P energy: -101.334 tors. eta vs tors. theta energy: -166.442 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: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1873.641729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.641729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.641729 (E_RNA) where: Base-Base interactions energy: -1295.866 where: short stacking energy: -538.957 Base-Backbone interact. energy: 1.979 local terms energy: -579.754691 where: bonds (distance) C4'-P energy: -116.720 bonds (distance) P-C4' energy: -111.736 flat angles C4'-P-C4' energy: -117.173 flat angles P-C4'-P energy: -82.925 tors. eta vs tors. theta energy: -151.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1757.495981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.495981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.495981 (E_RNA) where: Base-Base interactions energy: -1229.014 where: short stacking energy: -518.492 Base-Backbone interact. energy: 0.855 local terms energy: -529.337123 where: bonds (distance) C4'-P energy: -89.483 bonds (distance) P-C4' energy: -117.291 flat angles C4'-P-C4' energy: -127.516 flat angles P-C4'-P energy: -64.069 tors. eta vs tors. theta energy: -130.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1689.852888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.852888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.852888 (E_RNA) where: Base-Base interactions energy: -1170.206 where: short stacking energy: -485.617 Base-Backbone interact. energy: 1.868 local terms energy: -521.514783 where: bonds (distance) C4'-P energy: -93.489 bonds (distance) P-C4' energy: -103.261 flat angles C4'-P-C4' energy: -136.484 flat angles P-C4'-P energy: -83.335 tors. eta vs tors. theta energy: -104.946 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: 10, replica: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1352.965180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.965180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.965180 (E_RNA) where: Base-Base interactions energy: -885.393 where: short stacking energy: -372.398 Base-Backbone interact. energy: 3.398 local terms energy: -470.970736 where: bonds (distance) C4'-P energy: -107.403 bonds (distance) P-C4' energy: -107.441 flat angles C4'-P-C4' energy: -105.605 flat angles P-C4'-P energy: -87.766 tors. eta vs tors. theta energy: -62.757 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: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2672.079510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.079510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.079510 (E_RNA) where: Base-Base interactions energy: -1892.542 where: short stacking energy: -773.357 Base-Backbone interact. energy: -0.455 local terms energy: -779.082828 where: bonds (distance) C4'-P energy: -129.601 bonds (distance) P-C4' energy: -145.350 flat angles C4'-P-C4' energy: -165.305 flat angles P-C4'-P energy: -112.937 tors. eta vs tors. theta energy: -225.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2566.626437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.626437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.626437 (E_RNA) where: Base-Base interactions energy: -1817.642 where: short stacking energy: -751.990 Base-Backbone interact. energy: -1.627 local terms energy: -747.356984 where: bonds (distance) C4'-P energy: -127.255 bonds (distance) P-C4' energy: -133.945 flat angles C4'-P-C4' energy: -163.915 flat angles P-C4'-P energy: -94.965 tors. eta vs tors. theta energy: -227.277 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: 3, replica: 9 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2444.867234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.867234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.867234 (E_RNA) where: Base-Base interactions energy: -1730.426 where: short stacking energy: -702.728 Base-Backbone interact. energy: 0.909 local terms energy: -715.350936 where: bonds (distance) C4'-P energy: -131.465 bonds (distance) P-C4' energy: -122.906 flat angles C4'-P-C4' energy: -143.913 flat angles P-C4'-P energy: -105.967 tors. eta vs tors. theta energy: -211.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2308.708316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.708316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.708316 (E_RNA) where: Base-Base interactions energy: -1627.038 where: short stacking energy: -697.885 Base-Backbone interact. energy: 0.218 local terms energy: -681.888529 where: bonds (distance) C4'-P energy: -127.967 bonds (distance) P-C4' energy: -118.673 flat angles C4'-P-C4' energy: -143.274 flat angles P-C4'-P energy: -96.367 tors. eta vs tors. theta energy: -195.607 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: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2166.085458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.085458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.085458 (E_RNA) where: Base-Base interactions energy: -1509.723 where: short stacking energy: -626.768 Base-Backbone interact. energy: -3.285 local terms energy: -653.077300 where: bonds (distance) C4'-P energy: -122.392 bonds (distance) P-C4' energy: -119.026 flat angles C4'-P-C4' energy: -143.783 flat angles P-C4'-P energy: -88.972 tors. eta vs tors. theta energy: -178.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1993.130494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.130494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.130494 (E_RNA) where: Base-Base interactions energy: -1370.563 where: short stacking energy: -580.214 Base-Backbone interact. energy: -1.157 local terms energy: -621.410164 where: bonds (distance) C4'-P energy: -120.526 bonds (distance) P-C4' energy: -119.387 flat angles C4'-P-C4' energy: -141.652 flat angles P-C4'-P energy: -84.222 tors. eta vs tors. theta energy: -155.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1861.375699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.375699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.375699 (E_RNA) where: Base-Base interactions energy: -1277.280 where: short stacking energy: -525.379 Base-Backbone interact. energy: 1.451 local terms energy: -585.547472 where: bonds (distance) C4'-P energy: -124.716 bonds (distance) P-C4' energy: -111.498 flat angles C4'-P-C4' energy: -127.110 flat angles P-C4'-P energy: -75.048 tors. eta vs tors. theta energy: -147.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1840.403766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.403766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.403766 (E_RNA) where: Base-Base interactions energy: -1293.606 where: short stacking energy: -532.785 Base-Backbone interact. energy: 2.557 local terms energy: -549.354931 where: bonds (distance) C4'-P energy: -117.678 bonds (distance) P-C4' energy: -102.423 flat angles C4'-P-C4' energy: -118.281 flat angles P-C4'-P energy: -63.902 tors. eta vs tors. theta energy: -147.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1680.852557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.852557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.852557 (E_RNA) where: Base-Base interactions energy: -1185.113 where: short stacking energy: -482.978 Base-Backbone interact. energy: 4.259 local terms energy: -499.998495 where: bonds (distance) C4'-P energy: -105.409 bonds (distance) P-C4' energy: -114.107 flat angles C4'-P-C4' energy: -93.866 flat angles P-C4'-P energy: -66.170 tors. eta vs tors. theta energy: -120.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1280.661152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.661152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.661152 (E_RNA) where: Base-Base interactions energy: -824.000 where: short stacking energy: -356.725 Base-Backbone interact. energy: -1.530 local terms energy: -455.131088 where: bonds (distance) C4'-P energy: -105.642 bonds (distance) P-C4' energy: -111.188 flat angles C4'-P-C4' energy: -116.500 flat angles P-C4'-P energy: -53.148 tors. eta vs tors. theta energy: -68.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2671.532833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.532833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.532833 (E_RNA) where: Base-Base interactions energy: -1900.315 where: short stacking energy: -771.768 Base-Backbone interact. energy: -0.546 local terms energy: -770.671684 where: bonds (distance) C4'-P energy: -143.621 bonds (distance) P-C4' energy: -135.884 flat angles C4'-P-C4' energy: -153.129 flat angles P-C4'-P energy: -109.275 tors. eta vs tors. theta energy: -228.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2551.409798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.409798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.409798 (E_RNA) where: Base-Base interactions energy: -1823.584 where: short stacking energy: -744.443 Base-Backbone interact. energy: -0.429 local terms energy: -727.396887 where: bonds (distance) C4'-P energy: -113.560 bonds (distance) P-C4' energy: -134.823 flat angles C4'-P-C4' energy: -158.816 flat angles P-C4'-P energy: -94.944 tors. eta vs tors. theta energy: -225.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2456.401833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.401833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.401833 (E_RNA) where: Base-Base interactions energy: -1754.585 where: short stacking energy: -716.266 Base-Backbone interact. energy: -1.106 local terms energy: -700.711115 where: bonds (distance) C4'-P energy: -130.128 bonds (distance) P-C4' energy: -115.591 flat angles C4'-P-C4' energy: -144.624 flat angles P-C4'-P energy: -100.887 tors. eta vs tors. theta energy: -209.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2235.792603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.792603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.792603 (E_RNA) where: Base-Base interactions energy: -1547.861 where: short stacking energy: -667.969 Base-Backbone interact. energy: -3.987 local terms energy: -683.945296 where: bonds (distance) C4'-P energy: -113.703 bonds (distance) P-C4' energy: -134.053 flat angles C4'-P-C4' energy: -144.972 flat angles P-C4'-P energy: -97.626 tors. eta vs tors. theta energy: -193.591 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: 5, replica: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2192.007517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.007517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.007517 (E_RNA) where: Base-Base interactions energy: -1532.010 where: short stacking energy: -658.666 Base-Backbone interact. energy: -3.143 local terms energy: -656.855099 where: bonds (distance) C4'-P energy: -109.062 bonds (distance) P-C4' energy: -100.885 flat angles C4'-P-C4' energy: -153.870 flat angles P-C4'-P energy: -97.814 tors. eta vs tors. theta energy: -195.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1995.968775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.968775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.968775 (E_RNA) where: Base-Base interactions energy: -1386.715 where: short stacking energy: -586.423 Base-Backbone interact. energy: -2.840 local terms energy: -606.414154 where: bonds (distance) C4'-P energy: -96.123 bonds (distance) P-C4' energy: -131.017 flat angles C4'-P-C4' energy: -141.253 flat angles P-C4'-P energy: -77.916 tors. eta vs tors. theta energy: -160.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1926.175436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.175436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.175436 (E_RNA) where: Base-Base interactions energy: -1365.332 where: short stacking energy: -578.135 Base-Backbone interact. energy: -4.531 local terms energy: -556.312634 where: bonds (distance) C4'-P energy: -103.097 bonds (distance) P-C4' energy: -111.079 flat angles C4'-P-C4' energy: -125.604 flat angles P-C4'-P energy: -61.513 tors. eta vs tors. theta energy: -155.018 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: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1837.134704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.134704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.134704 (E_RNA) where: Base-Base interactions energy: -1253.330 where: short stacking energy: -534.722 Base-Backbone interact. energy: -2.392 local terms energy: -581.413181 where: bonds (distance) C4'-P energy: -111.763 bonds (distance) P-C4' energy: -99.923 flat angles C4'-P-C4' energy: -132.127 flat angles P-C4'-P energy: -95.166 tors. eta vs tors. theta energy: -142.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1646.939268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.939268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.939268 (E_RNA) where: Base-Base interactions energy: -1136.027 where: short stacking energy: -468.859 Base-Backbone interact. energy: -1.282 local terms energy: -509.629947 where: bonds (distance) C4'-P energy: -111.456 bonds (distance) P-C4' energy: -112.012 flat angles C4'-P-C4' energy: -113.697 flat angles P-C4'-P energy: -61.865 tors. eta vs tors. theta energy: -110.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1258.631385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.631385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.631385 (E_RNA) where: Base-Base interactions energy: -841.891 where: short stacking energy: -364.440 Base-Backbone interact. energy: 6.416 local terms energy: -423.156659 where: bonds (distance) C4'-P energy: -101.499 bonds (distance) P-C4' energy: -110.816 flat angles C4'-P-C4' energy: -88.709 flat angles P-C4'-P energy: -59.508 tors. eta vs tors. theta energy: -62.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2662.668915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.668915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.668915 (E_RNA) where: Base-Base interactions energy: -1911.773 where: short stacking energy: -774.116 Base-Backbone interact. energy: -3.194 local terms energy: -747.701389 where: bonds (distance) C4'-P energy: -125.587 bonds (distance) P-C4' energy: -129.388 flat angles C4'-P-C4' energy: -164.461 flat angles P-C4'-P energy: -103.784 tors. eta vs tors. theta energy: -224.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2566.887273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.887273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.887273 (E_RNA) where: Base-Base interactions energy: -1834.312 where: short stacking energy: -728.223 Base-Backbone interact. energy: -0.994 local terms energy: -731.580682 where: bonds (distance) C4'-P energy: -122.274 bonds (distance) P-C4' energy: -137.823 flat angles C4'-P-C4' energy: -150.589 flat angles P-C4'-P energy: -99.893 tors. eta vs tors. theta energy: -221.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2481.490212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.490212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.490212 (E_RNA) where: Base-Base interactions energy: -1757.958 where: short stacking energy: -701.597 Base-Backbone interact. energy: -1.650 local terms energy: -721.881819 where: bonds (distance) C4'-P energy: -125.611 bonds (distance) P-C4' energy: -133.747 flat angles C4'-P-C4' energy: -151.600 flat angles P-C4'-P energy: -101.749 tors. eta vs tors. theta energy: -209.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2200.518114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.518114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.518114 (E_RNA) where: Base-Base interactions energy: -1547.033 where: short stacking energy: -659.578 Base-Backbone interact. energy: -2.010 local terms energy: -651.475551 where: bonds (distance) C4'-P energy: -114.362 bonds (distance) P-C4' energy: -119.392 flat angles C4'-P-C4' energy: -146.052 flat angles P-C4'-P energy: -80.838 tors. eta vs tors. theta energy: -190.831 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: 166 Temperature: 1.100000 Total energy: -2153.265176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.265176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.265176 (E_RNA) where: Base-Base interactions energy: -1507.273 where: short stacking energy: -643.068 Base-Backbone interact. energy: 1.743 local terms energy: -647.734534 where: bonds (distance) C4'-P energy: -109.517 bonds (distance) P-C4' energy: -117.018 flat angles C4'-P-C4' energy: -136.589 flat angles P-C4'-P energy: -94.829 tors. eta vs tors. theta energy: -189.782 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: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1969.088205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.088205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.088205 (E_RNA) where: Base-Base interactions energy: -1375.583 where: short stacking energy: -573.838 Base-Backbone interact. energy: 0.400 local terms energy: -593.905178 where: bonds (distance) C4'-P energy: -120.335 bonds (distance) P-C4' energy: -104.407 flat angles C4'-P-C4' energy: -143.256 flat angles P-C4'-P energy: -73.138 tors. eta vs tors. theta energy: -152.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1882.090966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.090966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.090966 (E_RNA) where: Base-Base interactions energy: -1314.736 where: short stacking energy: -556.247 Base-Backbone interact. energy: -0.116 local terms energy: -567.239245 where: bonds (distance) C4'-P energy: -108.152 bonds (distance) P-C4' energy: -113.867 flat angles C4'-P-C4' energy: -115.801 flat angles P-C4'-P energy: -80.017 tors. eta vs tors. theta energy: -149.402 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: 2 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1848.243060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.243060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.243060 (E_RNA) where: Base-Base interactions energy: -1297.859 where: short stacking energy: -528.991 Base-Backbone interact. energy: 12.152 local terms energy: -562.536463 where: bonds (distance) C4'-P energy: -105.348 bonds (distance) P-C4' energy: -116.825 flat angles C4'-P-C4' energy: -124.676 flat angles P-C4'-P energy: -61.201 tors. eta vs tors. theta energy: -154.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1628.280953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.280953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.280953 (E_RNA) where: Base-Base interactions energy: -1132.644 where: short stacking energy: -480.543 Base-Backbone interact. energy: -2.006 local terms energy: -493.630538 where: bonds (distance) C4'-P energy: -91.464 bonds (distance) P-C4' energy: -114.060 flat angles C4'-P-C4' energy: -103.139 flat angles P-C4'-P energy: -76.886 tors. eta vs tors. theta energy: -108.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -1330.617512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.617512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.617512 (E_RNA) where: Base-Base interactions energy: -882.035 where: short stacking energy: -367.734 Base-Backbone interact. energy: -2.377 local terms energy: -446.204899 where: bonds (distance) C4'-P energy: -95.318 bonds (distance) P-C4' energy: -105.390 flat angles C4'-P-C4' energy: -112.428 flat angles P-C4'-P energy: -62.883 tors. eta vs tors. theta energy: -70.186 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: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2667.896922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.896922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.896922 (E_RNA) where: Base-Base interactions energy: -1903.910 where: short stacking energy: -766.740 Base-Backbone interact. energy: 0.413 local terms energy: -764.400015 where: bonds (distance) C4'-P energy: -132.706 bonds (distance) P-C4' energy: -124.204 flat angles C4'-P-C4' energy: -157.476 flat angles P-C4'-P energy: -111.779 tors. eta vs tors. theta energy: -238.235 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: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2558.533752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.533752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.533752 (E_RNA) where: Base-Base interactions energy: -1792.169 where: short stacking energy: -738.356 Base-Backbone interact. energy: -2.723 local terms energy: -763.641076 where: bonds (distance) C4'-P energy: -135.418 bonds (distance) P-C4' energy: -142.871 flat angles C4'-P-C4' energy: -153.699 flat angles P-C4'-P energy: -102.700 tors. eta vs tors. theta energy: -228.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2460.910320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.910320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.910320 (E_RNA) where: Base-Base interactions energy: -1719.667 where: short stacking energy: -675.024 Base-Backbone interact. energy: -0.161 local terms energy: -741.082614 where: bonds (distance) C4'-P energy: -146.467 bonds (distance) P-C4' energy: -131.894 flat angles C4'-P-C4' energy: -157.791 flat angles P-C4'-P energy: -102.939 tors. eta vs tors. theta energy: -201.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2222.246409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.246409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.246409 (E_RNA) where: Base-Base interactions energy: -1543.029 where: short stacking energy: -631.667 Base-Backbone interact. energy: -0.520 local terms energy: -678.697720 where: bonds (distance) C4'-P energy: -139.392 bonds (distance) P-C4' energy: -131.036 flat angles C4'-P-C4' energy: -133.331 flat angles P-C4'-P energy: -88.520 tors. eta vs tors. theta energy: -186.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2160.610967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.610967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.610967 (E_RNA) where: Base-Base interactions energy: -1533.389 where: short stacking energy: -648.349 Base-Backbone interact. energy: -1.997 local terms energy: -625.224339 where: bonds (distance) C4'-P energy: -87.979 bonds (distance) P-C4' energy: -117.056 flat angles C4'-P-C4' energy: -149.146 flat angles P-C4'-P energy: -81.712 tors. eta vs tors. theta energy: -189.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1990.111492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.111492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.111492 (E_RNA) where: Base-Base interactions energy: -1386.746 where: short stacking energy: -561.887 Base-Backbone interact. energy: 1.368 local terms energy: -604.732982 where: bonds (distance) C4'-P energy: -95.632 bonds (distance) P-C4' energy: -137.989 flat angles C4'-P-C4' energy: -127.750 flat angles P-C4'-P energy: -83.010 tors. eta vs tors. theta energy: -160.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1829.571733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.571733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.571733 (E_RNA) where: Base-Base interactions energy: -1242.495 where: short stacking energy: -514.675 Base-Backbone interact. energy: 0.052 local terms energy: -587.127920 where: bonds (distance) C4'-P energy: -116.132 bonds (distance) P-C4' energy: -114.317 flat angles C4'-P-C4' energy: -139.071 flat angles P-C4'-P energy: -84.305 tors. eta vs tors. theta energy: -133.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1822.777762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.777762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.777762 (E_RNA) where: Base-Base interactions energy: -1265.869 where: short stacking energy: -522.436 Base-Backbone interact. energy: -2.146 local terms energy: -554.762217 where: bonds (distance) C4'-P energy: -116.097 bonds (distance) P-C4' energy: -104.204 flat angles C4'-P-C4' energy: -110.246 flat angles P-C4'-P energy: -80.479 tors. eta vs tors. theta energy: -143.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1606.406834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.406834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.406834 (E_RNA) where: Base-Base interactions energy: -1101.129 where: short stacking energy: -478.223 Base-Backbone interact. energy: 3.560 local terms energy: -508.837324 where: bonds (distance) C4'-P energy: -105.496 bonds (distance) P-C4' energy: -95.230 flat angles C4'-P-C4' energy: -125.683 flat angles P-C4'-P energy: -71.307 tors. eta vs tors. theta energy: -111.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1372.568073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.568073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.568073 (E_RNA) where: Base-Base interactions energy: -934.390 where: short stacking energy: -371.631 Base-Backbone interact. energy: -1.102 local terms energy: -437.075416 where: bonds (distance) C4'-P energy: -96.237 bonds (distance) P-C4' energy: -107.580 flat angles C4'-P-C4' energy: -115.513 flat angles P-C4'-P energy: -51.525 tors. eta vs tors. theta energy: -66.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2654.317816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.317816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.317816 (E_RNA) where: Base-Base interactions energy: -1887.370 where: short stacking energy: -776.476 Base-Backbone interact. energy: -3.056 local terms energy: -763.891471 where: bonds (distance) C4'-P energy: -131.698 bonds (distance) P-C4' energy: -135.375 flat angles C4'-P-C4' energy: -159.062 flat angles P-C4'-P energy: -110.673 tors. eta vs tors. theta energy: -227.084 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: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2533.968021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.968021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.968021 (E_RNA) where: Base-Base interactions energy: -1804.364 where: short stacking energy: -730.641 Base-Backbone interact. energy: -1.901 local terms energy: -727.702760 where: bonds (distance) C4'-P energy: -125.830 bonds (distance) P-C4' energy: -128.203 flat angles C4'-P-C4' energy: -152.732 flat angles P-C4'-P energy: -100.430 tors. eta vs tors. theta energy: -220.508 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: 168 Temperature: 1.000000 Total energy: -2446.523583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.523583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.523583 (E_RNA) where: Base-Base interactions energy: -1734.797 where: short stacking energy: -699.508 Base-Backbone interact. energy: 2.389 local terms energy: -714.115246 where: bonds (distance) C4'-P energy: -127.562 bonds (distance) P-C4' energy: -120.345 flat angles C4'-P-C4' energy: -154.881 flat angles P-C4'-P energy: -101.031 tors. eta vs tors. theta energy: -210.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2232.471455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.471455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.471455 (E_RNA) where: Base-Base interactions energy: -1548.607 where: short stacking energy: -643.594 Base-Backbone interact. energy: -3.962 local terms energy: -679.902689 where: bonds (distance) C4'-P energy: -112.507 bonds (distance) P-C4' energy: -135.178 flat angles C4'-P-C4' energy: -142.860 flat angles P-C4'-P energy: -104.238 tors. eta vs tors. theta energy: -185.120 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: 5 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2141.859395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.859395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.859395 (E_RNA) where: Base-Base interactions energy: -1458.057 where: short stacking energy: -616.831 Base-Backbone interact. energy: -2.562 local terms energy: -681.239974 where: bonds (distance) C4'-P energy: -124.181 bonds (distance) P-C4' energy: -118.685 flat angles C4'-P-C4' energy: -138.588 flat angles P-C4'-P energy: -110.010 tors. eta vs tors. theta energy: -189.777 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: 3 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2005.777538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.777538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.777538 (E_RNA) where: Base-Base interactions energy: -1382.472 where: short stacking energy: -585.652 Base-Backbone interact. energy: -1.432 local terms energy: -621.873516 where: bonds (distance) C4'-P energy: -122.321 bonds (distance) P-C4' energy: -116.787 flat angles C4'-P-C4' energy: -142.764 flat angles P-C4'-P energy: -72.558 tors. eta vs tors. theta energy: -167.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1868.081598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.081598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.081598 (E_RNA) where: Base-Base interactions energy: -1308.817 where: short stacking energy: -548.853 Base-Backbone interact. energy: 0.081 local terms energy: -559.346461 where: bonds (distance) C4'-P energy: -91.777 bonds (distance) P-C4' energy: -111.518 flat angles C4'-P-C4' energy: -146.035 flat angles P-C4'-P energy: -72.548 tors. eta vs tors. theta energy: -137.468 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: 2 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1852.362211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.362211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.362211 (E_RNA) where: Base-Base interactions energy: -1270.553 where: short stacking energy: -528.405 Base-Backbone interact. energy: -1.945 local terms energy: -579.864589 where: bonds (distance) C4'-P energy: -89.301 bonds (distance) P-C4' energy: -133.986 flat angles C4'-P-C4' energy: -132.078 flat angles P-C4'-P energy: -78.272 tors. eta vs tors. theta energy: -146.228 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: 168 Temperature: 1.300000 Total energy: -1636.975359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.975359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.975359 (E_RNA) where: Base-Base interactions energy: -1121.686 where: short stacking energy: -474.204 Base-Backbone interact. energy: 6.880 local terms energy: -522.168870 where: bonds (distance) C4'-P energy: -111.087 bonds (distance) P-C4' energy: -111.774 flat angles C4'-P-C4' energy: -128.013 flat angles P-C4'-P energy: -71.148 tors. eta vs tors. theta energy: -100.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1340.925379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.925379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.925379 (E_RNA) where: Base-Base interactions energy: -908.561 where: short stacking energy: -385.071 Base-Backbone interact. energy: 1.110 local terms energy: -433.474571 where: bonds (distance) C4'-P energy: -105.130 bonds (distance) P-C4' energy: -119.038 flat angles C4'-P-C4' energy: -76.789 flat angles P-C4'-P energy: -68.711 tors. eta vs tors. theta energy: -63.807 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: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2660.177563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.177563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.177563 (E_RNA) where: Base-Base interactions energy: -1901.287 where: short stacking energy: -786.067 Base-Backbone interact. energy: -3.252 local terms energy: -755.638722 where: bonds (distance) C4'-P energy: -117.509 bonds (distance) P-C4' energy: -139.961 flat angles C4'-P-C4' energy: -151.413 flat angles P-C4'-P energy: -117.487 tors. eta vs tors. theta energy: -229.270 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: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2556.868574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.868574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.868574 (E_RNA) where: Base-Base interactions energy: -1824.808 where: short stacking energy: -748.945 Base-Backbone interact. energy: -1.734 local terms energy: -730.325847 where: bonds (distance) C4'-P energy: -112.243 bonds (distance) P-C4' energy: -125.352 flat angles C4'-P-C4' energy: -154.702 flat angles P-C4'-P energy: -105.319 tors. eta vs tors. theta energy: -232.710 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: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2444.151288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.151288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.151288 (E_RNA) where: Base-Base interactions energy: -1727.409 where: short stacking energy: -695.912 Base-Backbone interact. energy: -2.173 local terms energy: -714.570157 where: bonds (distance) C4'-P energy: -126.017 bonds (distance) P-C4' energy: -127.274 flat angles C4'-P-C4' energy: -158.303 flat angles P-C4'-P energy: -96.035 tors. eta vs tors. theta energy: -206.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2259.529584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.529584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.529584 (E_RNA) where: Base-Base interactions energy: -1608.964 where: short stacking energy: -674.015 Base-Backbone interact. energy: -6.240 local terms energy: -644.324817 where: bonds (distance) C4'-P energy: -107.473 bonds (distance) P-C4' energy: -127.967 flat angles C4'-P-C4' energy: -133.193 flat angles P-C4'-P energy: -92.935 tors. eta vs tors. theta energy: -182.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2112.138648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.138648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.138648 (E_RNA) where: Base-Base interactions energy: -1472.728 where: short stacking energy: -611.938 Base-Backbone interact. energy: -3.549 local terms energy: -635.861580 where: bonds (distance) C4'-P energy: -103.181 bonds (distance) P-C4' energy: -125.710 flat angles C4'-P-C4' energy: -135.088 flat angles P-C4'-P energy: -92.838 tors. eta vs tors. theta energy: -179.045 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: 6, replica: 3 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2009.959917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.959917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.959917 (E_RNA) where: Base-Base interactions energy: -1402.108 where: short stacking energy: -569.801 Base-Backbone interact. energy: 7.628 local terms energy: -615.479878 where: bonds (distance) C4'-P energy: -111.830 bonds (distance) P-C4' energy: -111.368 flat angles C4'-P-C4' energy: -134.909 flat angles P-C4'-P energy: -90.468 tors. eta vs tors. theta energy: -166.905 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: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1825.649972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.649972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.649972 (E_RNA) where: Base-Base interactions energy: -1254.424 where: short stacking energy: -539.862 Base-Backbone interact. energy: -0.687 local terms energy: -570.539365 where: bonds (distance) C4'-P energy: -111.406 bonds (distance) P-C4' energy: -99.285 flat angles C4'-P-C4' energy: -120.422 flat angles P-C4'-P energy: -93.385 tors. eta vs tors. theta energy: -146.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1811.680154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.680154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.680154 (E_RNA) where: Base-Base interactions energy: -1259.678 where: short stacking energy: -487.814 Base-Backbone interact. energy: -1.363 local terms energy: -550.639302 where: bonds (distance) C4'-P energy: -103.727 bonds (distance) P-C4' energy: -105.395 flat angles C4'-P-C4' energy: -133.973 flat angles P-C4'-P energy: -73.086 tors. eta vs tors. theta energy: -134.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1651.226157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.226157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.226157 (E_RNA) where: Base-Base interactions energy: -1141.822 where: short stacking energy: -456.043 Base-Backbone interact. energy: -2.150 local terms energy: -507.254652 where: bonds (distance) C4'-P energy: -105.370 bonds (distance) P-C4' energy: -102.270 flat angles C4'-P-C4' energy: -109.834 flat angles P-C4'-P energy: -70.950 tors. eta vs tors. theta energy: -118.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1366.498924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.498924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.498924 (E_RNA) where: Base-Base interactions energy: -882.369 where: short stacking energy: -373.953 Base-Backbone interact. energy: 0.986 local terms energy: -485.116029 where: bonds (distance) C4'-P energy: -127.214 bonds (distance) P-C4' energy: -92.946 flat angles C4'-P-C4' energy: -124.670 flat angles P-C4'-P energy: -67.527 tors. eta vs tors. theta energy: -72.759 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: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2647.740196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.740196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.740196 (E_RNA) where: Base-Base interactions energy: -1907.086 where: short stacking energy: -795.788 Base-Backbone interact. energy: -4.186 local terms energy: -736.468413 where: bonds (distance) C4'-P energy: -121.889 bonds (distance) P-C4' energy: -130.176 flat angles C4'-P-C4' energy: -153.340 flat angles P-C4'-P energy: -102.918 tors. eta vs tors. theta energy: -228.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2567.564908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.564908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.564908 (E_RNA) where: Base-Base interactions energy: -1808.294 where: short stacking energy: -765.660 Base-Backbone interact. energy: -2.154 local terms energy: -757.116234 where: bonds (distance) C4'-P energy: -127.629 bonds (distance) P-C4' energy: -139.035 flat angles C4'-P-C4' energy: -149.731 flat angles P-C4'-P energy: -104.434 tors. eta vs tors. theta energy: -236.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2469.728618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.728618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.728618 (E_RNA) where: Base-Base interactions energy: -1747.214 where: short stacking energy: -725.509 Base-Backbone interact. energy: -2.173 local terms energy: -720.342139 where: bonds (distance) C4'-P energy: -108.849 bonds (distance) P-C4' energy: -117.914 flat angles C4'-P-C4' energy: -162.219 flat angles P-C4'-P energy: -107.776 tors. eta vs tors. theta energy: -223.584 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: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2249.299463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.299463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.299463 (E_RNA) where: Base-Base interactions energy: -1573.553 where: short stacking energy: -643.891 Base-Backbone interact. energy: 2.211 local terms energy: -677.956748 where: bonds (distance) C4'-P energy: -108.807 bonds (distance) P-C4' energy: -128.781 flat angles C4'-P-C4' energy: -152.428 flat angles P-C4'-P energy: -102.568 tors. eta vs tors. theta energy: -185.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2139.478208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.478208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.478208 (E_RNA) where: Base-Base interactions energy: -1471.166 where: short stacking energy: -631.487 Base-Backbone interact. energy: -2.507 local terms energy: -665.805231 where: bonds (distance) C4'-P energy: -116.131 bonds (distance) P-C4' energy: -120.308 flat angles C4'-P-C4' energy: -131.718 flat angles P-C4'-P energy: -104.232 tors. eta vs tors. theta energy: -193.416 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: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1991.688001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.688001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.688001 (E_RNA) where: Base-Base interactions energy: -1422.009 where: short stacking energy: -582.848 Base-Backbone interact. energy: 7.461 local terms energy: -577.140075 where: bonds (distance) C4'-P energy: -107.471 bonds (distance) P-C4' energy: -112.967 flat angles C4'-P-C4' energy: -112.890 flat angles P-C4'-P energy: -90.080 tors. eta vs tors. theta energy: -153.732 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: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1810.354540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.354540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.354540 (E_RNA) where: Base-Base interactions energy: -1240.463 where: short stacking energy: -523.877 Base-Backbone interact. energy: -4.466 local terms energy: -565.426276 where: bonds (distance) C4'-P energy: -107.768 bonds (distance) P-C4' energy: -96.813 flat angles C4'-P-C4' energy: -139.819 flat angles P-C4'-P energy: -82.027 tors. eta vs tors. theta energy: -138.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1889.979968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.979968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.979968 (E_RNA) where: Base-Base interactions energy: -1311.358 where: short stacking energy: -531.023 Base-Backbone interact. energy: -1.983 local terms energy: -576.638566 where: bonds (distance) C4'-P energy: -95.717 bonds (distance) P-C4' energy: -110.445 flat angles C4'-P-C4' energy: -127.664 flat angles P-C4'-P energy: -87.406 tors. eta vs tors. theta energy: -155.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1609.243679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.243679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.243679 (E_RNA) where: Base-Base interactions energy: -1129.892 where: short stacking energy: -485.373 Base-Backbone interact. energy: 1.752 local terms energy: -481.103781 where: bonds (distance) C4'-P energy: -93.522 bonds (distance) P-C4' energy: -100.727 flat angles C4'-P-C4' energy: -131.165 flat angles P-C4'-P energy: -51.180 tors. eta vs tors. theta energy: -104.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1317.529776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.529776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.529776 (E_RNA) where: Base-Base interactions energy: -864.905 where: short stacking energy: -392.328 Base-Backbone interact. energy: -1.180 local terms energy: -451.444809 where: bonds (distance) C4'-P energy: -81.433 bonds (distance) P-C4' energy: -124.656 flat angles C4'-P-C4' energy: -99.216 flat angles P-C4'-P energy: -80.005 tors. eta vs tors. theta energy: -66.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2659.897624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.897624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.897624 (E_RNA) where: Base-Base interactions energy: -1893.934 where: short stacking energy: -796.117 Base-Backbone interact. energy: -1.363 local terms energy: -764.600958 where: bonds (distance) C4'-P energy: -128.928 bonds (distance) P-C4' energy: -126.924 flat angles C4'-P-C4' energy: -168.262 flat angles P-C4'-P energy: -105.627 tors. eta vs tors. theta energy: -234.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2542.788934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.788934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.788934 (E_RNA) where: Base-Base interactions energy: -1779.743 where: short stacking energy: -739.032 Base-Backbone interact. energy: -1.494 local terms energy: -761.552148 where: bonds (distance) C4'-P energy: -131.024 bonds (distance) P-C4' energy: -142.544 flat angles C4'-P-C4' energy: -153.128 flat angles P-C4'-P energy: -103.784 tors. eta vs tors. theta energy: -231.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2474.246268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.246268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.246268 (E_RNA) where: Base-Base interactions energy: -1753.780 where: short stacking energy: -712.506 Base-Backbone interact. energy: -3.437 local terms energy: -717.029084 where: bonds (distance) C4'-P energy: -118.273 bonds (distance) P-C4' energy: -131.967 flat angles C4'-P-C4' energy: -149.335 flat angles P-C4'-P energy: -98.616 tors. eta vs tors. theta energy: -218.838 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: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2275.189461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.189461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.189461 (E_RNA) where: Base-Base interactions energy: -1597.658 where: short stacking energy: -677.428 Base-Backbone interact. energy: -0.234 local terms energy: -677.296683 where: bonds (distance) C4'-P energy: -127.752 bonds (distance) P-C4' energy: -111.566 flat angles C4'-P-C4' energy: -153.158 flat angles P-C4'-P energy: -93.856 tors. eta vs tors. theta energy: -190.965 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: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2165.250537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.250537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.250537 (E_RNA) where: Base-Base interactions energy: -1502.453 where: short stacking energy: -664.575 Base-Backbone interact. energy: 1.591 local terms energy: -664.388234 where: bonds (distance) C4'-P energy: -118.901 bonds (distance) P-C4' energy: -112.145 flat angles C4'-P-C4' energy: -133.918 flat angles P-C4'-P energy: -101.168 tors. eta vs tors. theta energy: -198.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1985.664346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.664346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.664346 (E_RNA) where: Base-Base interactions energy: -1396.587 where: short stacking energy: -569.333 Base-Backbone interact. energy: -2.337 local terms energy: -586.739926 where: bonds (distance) C4'-P energy: -110.794 bonds (distance) P-C4' energy: -103.020 flat angles C4'-P-C4' energy: -134.006 flat angles P-C4'-P energy: -86.475 tors. eta vs tors. theta energy: -152.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1782.961799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.961799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.961799 (E_RNA) where: Base-Base interactions energy: -1220.009 where: short stacking energy: -529.146 Base-Backbone interact. energy: 5.973 local terms energy: -568.926153 where: bonds (distance) C4'-P energy: -115.752 bonds (distance) P-C4' energy: -116.436 flat angles C4'-P-C4' energy: -130.803 flat angles P-C4'-P energy: -77.455 tors. eta vs tors. theta energy: -128.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1875.239390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.239390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.239390 (E_RNA) where: Base-Base interactions energy: -1320.622 where: short stacking energy: -554.188 Base-Backbone interact. energy: -1.699 local terms energy: -552.918372 where: bonds (distance) C4'-P energy: -111.551 bonds (distance) P-C4' energy: -112.256 flat angles C4'-P-C4' energy: -124.335 flat angles P-C4'-P energy: -65.149 tors. eta vs tors. theta energy: -139.627 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: 8 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1691.252211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.252211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.252211 (E_RNA) where: Base-Base interactions energy: -1162.037 where: short stacking energy: -478.350 Base-Backbone interact. energy: -2.201 local terms energy: -527.013564 where: bonds (distance) C4'-P energy: -100.911 bonds (distance) P-C4' energy: -112.102 flat angles C4'-P-C4' energy: -116.255 flat angles P-C4'-P energy: -72.715 tors. eta vs tors. theta energy: -125.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1373.516419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.516419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.516419 (E_RNA) where: Base-Base interactions energy: -931.136 where: short stacking energy: -400.910 Base-Backbone interact. energy: -1.760 local terms energy: -440.620480 where: bonds (distance) C4'-P energy: -97.840 bonds (distance) P-C4' energy: -107.781 flat angles C4'-P-C4' energy: -96.960 flat angles P-C4'-P energy: -59.193 tors. eta vs tors. theta energy: -78.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2659.682369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.682369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.682369 (E_RNA) where: Base-Base interactions energy: -1881.586 where: short stacking energy: -775.767 Base-Backbone interact. energy: -3.534 local terms energy: -774.562436 where: bonds (distance) C4'-P energy: -146.269 bonds (distance) P-C4' energy: -134.587 flat angles C4'-P-C4' energy: -163.598 flat angles P-C4'-P energy: -103.080 tors. eta vs tors. theta energy: -227.028 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: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2545.637763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.637763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.637763 (E_RNA) where: Base-Base interactions energy: -1802.388 where: short stacking energy: -765.924 Base-Backbone interact. energy: -2.325 local terms energy: -740.924555 where: bonds (distance) C4'-P energy: -117.738 bonds (distance) P-C4' energy: -131.003 flat angles C4'-P-C4' energy: -157.304 flat angles P-C4'-P energy: -104.314 tors. eta vs tors. theta energy: -230.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2468.041435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.041435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.041435 (E_RNA) where: Base-Base interactions energy: -1770.670 where: short stacking energy: -730.054 Base-Backbone interact. energy: 2.446 local terms energy: -699.817427 where: bonds (distance) C4'-P energy: -122.212 bonds (distance) P-C4' energy: -116.673 flat angles C4'-P-C4' energy: -140.035 flat angles P-C4'-P energy: -103.836 tors. eta vs tors. theta energy: -217.061 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: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2259.464463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.464463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.464463 (E_RNA) where: Base-Base interactions energy: -1580.243 where: short stacking energy: -677.890 Base-Backbone interact. energy: 0.707 local terms energy: -679.928118 where: bonds (distance) C4'-P energy: -129.960 bonds (distance) P-C4' energy: -109.914 flat angles C4'-P-C4' energy: -139.791 flat angles P-C4'-P energy: -109.025 tors. eta vs tors. theta energy: -191.239 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: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2155.510377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.510377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.510377 (E_RNA) where: Base-Base interactions energy: -1524.110 where: short stacking energy: -659.253 Base-Backbone interact. energy: -2.286 local terms energy: -629.114474 where: bonds (distance) C4'-P energy: -97.992 bonds (distance) P-C4' energy: -117.110 flat angles C4'-P-C4' energy: -138.879 flat angles P-C4'-P energy: -89.106 tors. eta vs tors. theta energy: -186.028 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: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2016.638661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.638661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.638661 (E_RNA) where: Base-Base interactions energy: -1413.085 where: short stacking energy: -581.432 Base-Backbone interact. energy: -1.034 local terms energy: -602.519614 where: bonds (distance) C4'-P energy: -109.195 bonds (distance) P-C4' energy: -116.583 flat angles C4'-P-C4' energy: -131.096 flat angles P-C4'-P energy: -81.181 tors. eta vs tors. theta energy: -164.464 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: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1946.738664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.738664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.738664 (E_RNA) where: Base-Base interactions energy: -1348.871 where: short stacking energy: -576.372 Base-Backbone interact. energy: -0.429 local terms energy: -597.438129 where: bonds (distance) C4'-P energy: -119.129 bonds (distance) P-C4' energy: -105.824 flat angles C4'-P-C4' energy: -137.539 flat angles P-C4'-P energy: -86.372 tors. eta vs tors. theta energy: -148.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1710.300729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.300729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.300729 (E_RNA) where: Base-Base interactions energy: -1197.454 where: short stacking energy: -504.023 Base-Backbone interact. energy: 5.999 local terms energy: -518.845804 where: bonds (distance) C4'-P energy: -95.447 bonds (distance) P-C4' energy: -110.837 flat angles C4'-P-C4' energy: -136.012 flat angles P-C4'-P energy: -58.029 tors. eta vs tors. theta energy: -118.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1704.295943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.295943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.295943 (E_RNA) where: Base-Base interactions energy: -1184.708 where: short stacking energy: -477.637 Base-Backbone interact. energy: -2.371 local terms energy: -517.216866 where: bonds (distance) C4'-P energy: -111.104 bonds (distance) P-C4' energy: -118.079 flat angles C4'-P-C4' energy: -109.601 flat angles P-C4'-P energy: -75.033 tors. eta vs tors. theta energy: -103.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1338.369507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.369507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.369507 (E_RNA) where: Base-Base interactions energy: -862.387 where: short stacking energy: -384.827 Base-Backbone interact. energy: -0.106 local terms energy: -475.876661 where: bonds (distance) C4'-P energy: -94.394 bonds (distance) P-C4' energy: -117.183 flat angles C4'-P-C4' energy: -105.167 flat angles P-C4'-P energy: -83.987 tors. eta vs tors. theta energy: -75.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2639.282474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.282474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.282474 (E_RNA) where: Base-Base interactions energy: -1865.882 where: short stacking energy: -761.813 Base-Backbone interact. energy: -1.833 local terms energy: -771.566981 where: bonds (distance) C4'-P energy: -139.800 bonds (distance) P-C4' energy: -130.224 flat angles C4'-P-C4' energy: -160.475 flat angles P-C4'-P energy: -115.510 tors. eta vs tors. theta energy: -225.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2563.391122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.391122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.391122 (E_RNA) where: Base-Base interactions energy: -1826.062 where: short stacking energy: -781.257 Base-Backbone interact. energy: -0.743 local terms energy: -736.586073 where: bonds (distance) C4'-P energy: -127.373 bonds (distance) P-C4' energy: -110.305 flat angles C4'-P-C4' energy: -163.781 flat angles P-C4'-P energy: -105.111 tors. eta vs tors. theta energy: -230.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2466.351916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.351916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.351916 (E_RNA) where: Base-Base interactions energy: -1748.525 where: short stacking energy: -722.796 Base-Backbone interact. energy: -4.748 local terms energy: -713.079278 where: bonds (distance) C4'-P energy: -127.802 bonds (distance) P-C4' energy: -121.369 flat angles C4'-P-C4' energy: -148.167 flat angles P-C4'-P energy: -98.331 tors. eta vs tors. theta energy: -217.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2246.635297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.635297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.635297 (E_RNA) where: Base-Base interactions energy: -1587.582 where: short stacking energy: -669.583 Base-Backbone interact. energy: -1.609 local terms energy: -657.444708 where: bonds (distance) C4'-P energy: -115.783 bonds (distance) P-C4' energy: -121.991 flat angles C4'-P-C4' energy: -141.134 flat angles P-C4'-P energy: -92.180 tors. eta vs tors. theta energy: -186.355 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: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2200.056663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.056663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.056663 (E_RNA) where: Base-Base interactions energy: -1516.841 where: short stacking energy: -658.120 Base-Backbone interact. energy: -0.336 local terms energy: -682.879689 where: bonds (distance) C4'-P energy: -129.554 bonds (distance) P-C4' energy: -116.649 flat angles C4'-P-C4' energy: -142.320 flat angles P-C4'-P energy: -101.563 tors. eta vs tors. theta energy: -192.793 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: 173 Temperature: 1.150000 Total energy: -2013.849433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.849433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.849433 (E_RNA) where: Base-Base interactions energy: -1394.995 where: short stacking energy: -579.294 Base-Backbone interact. energy: -3.342 local terms energy: -615.512485 where: bonds (distance) C4'-P energy: -123.350 bonds (distance) P-C4' energy: -114.440 flat angles C4'-P-C4' energy: -138.140 flat angles P-C4'-P energy: -87.410 tors. eta vs tors. theta energy: -152.173 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: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1980.382408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.382408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.382408 (E_RNA) where: Base-Base interactions energy: -1388.197 where: short stacking energy: -578.229 Base-Backbone interact. energy: 5.513 local terms energy: -597.697980 where: bonds (distance) C4'-P energy: -89.406 bonds (distance) P-C4' energy: -106.982 flat angles C4'-P-C4' energy: -131.153 flat angles P-C4'-P energy: -99.256 tors. eta vs tors. theta energy: -170.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1709.875946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.875946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.875946 (E_RNA) where: Base-Base interactions energy: -1195.767 where: short stacking energy: -496.525 Base-Backbone interact. energy: -0.652 local terms energy: -513.457346 where: bonds (distance) C4'-P energy: -118.165 bonds (distance) P-C4' energy: -101.239 flat angles C4'-P-C4' energy: -110.807 flat angles P-C4'-P energy: -64.865 tors. eta vs tors. theta energy: -118.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1733.217581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.217581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.217581 (E_RNA) where: Base-Base interactions energy: -1189.249 where: short stacking energy: -463.534 Base-Backbone interact. energy: -1.112 local terms energy: -542.855855 where: bonds (distance) C4'-P energy: -109.966 bonds (distance) P-C4' energy: -111.430 flat angles C4'-P-C4' energy: -123.790 flat angles P-C4'-P energy: -78.723 tors. eta vs tors. theta energy: -118.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1377.764820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.764820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.764820 (E_RNA) where: Base-Base interactions energy: -905.930 where: short stacking energy: -393.191 Base-Backbone interact. energy: -3.588 local terms energy: -468.247574 where: bonds (distance) C4'-P energy: -85.856 bonds (distance) P-C4' energy: -99.421 flat angles C4'-P-C4' energy: -112.591 flat angles P-C4'-P energy: -87.842 tors. eta vs tors. theta energy: -82.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2599.087425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.087425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.087425 (E_RNA) where: Base-Base interactions energy: -1839.048 where: short stacking energy: -764.882 Base-Backbone interact. energy: -1.581 local terms energy: -758.458181 where: bonds (distance) C4'-P energy: -122.163 bonds (distance) P-C4' energy: -126.582 flat angles C4'-P-C4' energy: -162.217 flat angles P-C4'-P energy: -106.392 tors. eta vs tors. theta energy: -241.103 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: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2616.515355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.515355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.515355 (E_RNA) where: Base-Base interactions energy: -1862.570 where: short stacking energy: -757.053 Base-Backbone interact. energy: -3.056 local terms energy: -750.889812 where: bonds (distance) C4'-P energy: -122.140 bonds (distance) P-C4' energy: -139.958 flat angles C4'-P-C4' energy: -154.227 flat angles P-C4'-P energy: -104.568 tors. eta vs tors. theta energy: -229.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2500.154642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.154642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.154642 (E_RNA) where: Base-Base interactions energy: -1783.469 where: short stacking energy: -739.632 Base-Backbone interact. energy: -1.838 local terms energy: -714.848071 where: bonds (distance) C4'-P energy: -120.918 bonds (distance) P-C4' energy: -120.722 flat angles C4'-P-C4' energy: -153.235 flat angles P-C4'-P energy: -97.882 tors. eta vs tors. theta energy: -222.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2269.392303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.392303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.392303 (E_RNA) where: Base-Base interactions energy: -1569.398 where: short stacking energy: -663.450 Base-Backbone interact. energy: -0.107 local terms energy: -699.887148 where: bonds (distance) C4'-P energy: -128.912 bonds (distance) P-C4' energy: -129.341 flat angles C4'-P-C4' energy: -152.397 flat angles P-C4'-P energy: -91.733 tors. eta vs tors. theta energy: -197.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2175.534086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.534086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.534086 (E_RNA) where: Base-Base interactions energy: -1519.233 where: short stacking energy: -646.539 Base-Backbone interact. energy: -1.044 local terms energy: -655.256253 where: bonds (distance) C4'-P energy: -107.535 bonds (distance) P-C4' energy: -122.842 flat angles C4'-P-C4' energy: -146.773 flat angles P-C4'-P energy: -84.031 tors. eta vs tors. theta energy: -194.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2016.213239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.213239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.213239 (E_RNA) where: Base-Base interactions energy: -1396.397 where: short stacking energy: -569.375 Base-Backbone interact. energy: -1.108 local terms energy: -618.707902 where: bonds (distance) C4'-P energy: -116.542 bonds (distance) P-C4' energy: -119.599 flat angles C4'-P-C4' energy: -137.020 flat angles P-C4'-P energy: -89.194 tors. eta vs tors. theta energy: -156.353 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: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1976.719332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.719332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.719332 (E_RNA) where: Base-Base interactions energy: -1368.220 where: short stacking energy: -562.467 Base-Backbone interact. energy: -1.167 local terms energy: -607.332428 where: bonds (distance) C4'-P energy: -116.828 bonds (distance) P-C4' energy: -108.178 flat angles C4'-P-C4' energy: -134.661 flat angles P-C4'-P energy: -81.790 tors. eta vs tors. theta energy: -165.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1714.811637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.811637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.811637 (E_RNA) where: Base-Base interactions energy: -1188.515 where: short stacking energy: -505.907 Base-Backbone interact. energy: 3.264 local terms energy: -529.560567 where: bonds (distance) C4'-P energy: -97.842 bonds (distance) P-C4' energy: -88.790 flat angles C4'-P-C4' energy: -125.241 flat angles P-C4'-P energy: -88.981 tors. eta vs tors. theta energy: -128.707 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: 174 Temperature: 1.300000 Total energy: -1732.309580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.309580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.309580 (E_RNA) where: Base-Base interactions energy: -1235.910 where: short stacking energy: -489.411 Base-Backbone interact. energy: -0.931 local terms energy: -495.468353 where: bonds (distance) C4'-P energy: -98.754 bonds (distance) P-C4' energy: -102.085 flat angles C4'-P-C4' energy: -115.855 flat angles P-C4'-P energy: -69.242 tors. eta vs tors. theta energy: -109.532 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: 10, replica: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1363.676673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.676673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.676673 (E_RNA) where: Base-Base interactions energy: -909.596 where: short stacking energy: -378.659 Base-Backbone interact. energy: -2.309 local terms energy: -451.771300 where: bonds (distance) C4'-P energy: -89.015 bonds (distance) P-C4' energy: -101.618 flat angles C4'-P-C4' energy: -127.518 flat angles P-C4'-P energy: -64.231 tors. eta vs tors. theta energy: -69.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2599.625437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.625437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.625437 (E_RNA) where: Base-Base interactions energy: -1852.977 where: short stacking energy: -778.186 Base-Backbone interact. energy: 1.262 local terms energy: -747.910422 where: bonds (distance) C4'-P energy: -117.716 bonds (distance) P-C4' energy: -135.781 flat angles C4'-P-C4' energy: -153.686 flat angles P-C4'-P energy: -104.809 tors. eta vs tors. theta energy: -235.919 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: 2, replica: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2604.645928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.645928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.645928 (E_RNA) where: Base-Base interactions energy: -1861.032 where: short stacking energy: -764.921 Base-Backbone interact. energy: -1.215 local terms energy: -742.398448 where: bonds (distance) C4'-P energy: -120.305 bonds (distance) P-C4' energy: -122.345 flat angles C4'-P-C4' energy: -158.887 flat angles P-C4'-P energy: -109.441 tors. eta vs tors. theta energy: -231.421 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: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2490.941322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.941322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.941322 (E_RNA) where: Base-Base interactions energy: -1754.307 where: short stacking energy: -725.323 Base-Backbone interact. energy: -2.425 local terms energy: -734.208802 where: bonds (distance) C4'-P energy: -128.515 bonds (distance) P-C4' energy: -136.888 flat angles C4'-P-C4' energy: -158.859 flat angles P-C4'-P energy: -89.361 tors. eta vs tors. theta energy: -220.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2290.599915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.599915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.599915 (E_RNA) where: Base-Base interactions energy: -1616.847 where: short stacking energy: -681.023 Base-Backbone interact. energy: -2.495 local terms energy: -671.257310 where: bonds (distance) C4'-P energy: -108.467 bonds (distance) P-C4' energy: -114.416 flat angles C4'-P-C4' energy: -154.214 flat angles P-C4'-P energy: -91.120 tors. eta vs tors. theta energy: -203.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2166.923913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.923913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.923913 (E_RNA) where: Base-Base interactions energy: -1491.455 where: short stacking energy: -647.520 Base-Backbone interact. energy: 2.299 local terms energy: -677.767476 where: bonds (distance) C4'-P energy: -112.331 bonds (distance) P-C4' energy: -118.024 flat angles C4'-P-C4' energy: -150.388 flat angles P-C4'-P energy: -111.410 tors. eta vs tors. theta energy: -185.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2008.104417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.104417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.104417 (E_RNA) where: Base-Base interactions energy: -1400.916 where: short stacking energy: -593.521 Base-Backbone interact. energy: -3.902 local terms energy: -603.287030 where: bonds (distance) C4'-P energy: -105.959 bonds (distance) P-C4' energy: -108.174 flat angles C4'-P-C4' energy: -133.888 flat angles P-C4'-P energy: -91.028 tors. eta vs tors. theta energy: -164.238 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: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1941.319796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.319796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.319796 (E_RNA) where: Base-Base interactions energy: -1349.667 where: short stacking energy: -555.849 Base-Backbone interact. energy: -2.361 local terms energy: -589.291947 where: bonds (distance) C4'-P energy: -121.404 bonds (distance) P-C4' energy: -113.527 flat angles C4'-P-C4' energy: -124.220 flat angles P-C4'-P energy: -72.726 tors. eta vs tors. theta energy: -157.415 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: 8, replica: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1746.112778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.112778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.112778 (E_RNA) where: Base-Base interactions energy: -1234.170 where: short stacking energy: -509.019 Base-Backbone interact. energy: 3.297 local terms energy: -515.239841 where: bonds (distance) C4'-P energy: -96.968 bonds (distance) P-C4' energy: -109.830 flat angles C4'-P-C4' energy: -114.779 flat angles P-C4'-P energy: -62.296 tors. eta vs tors. theta energy: -131.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1762.412659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.412659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.412659 (E_RNA) where: Base-Base interactions energy: -1218.012 where: short stacking energy: -508.776 Base-Backbone interact. energy: -4.125 local terms energy: -540.276234 where: bonds (distance) C4'-P energy: -92.777 bonds (distance) P-C4' energy: -106.045 flat angles C4'-P-C4' energy: -128.262 flat angles P-C4'-P energy: -75.155 tors. eta vs tors. theta energy: -138.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -1362.393383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.393383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.393383 (E_RNA) where: Base-Base interactions energy: -931.297 where: short stacking energy: -383.554 Base-Backbone interact. energy: 0.579 local terms energy: -431.675386 where: bonds (distance) C4'-P energy: -92.305 bonds (distance) P-C4' energy: -108.480 flat angles C4'-P-C4' energy: -99.459 flat angles P-C4'-P energy: -62.402 tors. eta vs tors. theta energy: -69.030 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: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2642.929420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.929420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.929420 (E_RNA) where: Base-Base interactions energy: -1861.659 where: short stacking energy: -772.297 Base-Backbone interact. energy: -2.873 local terms energy: -778.397551 where: bonds (distance) C4'-P energy: -138.176 bonds (distance) P-C4' energy: -147.757 flat angles C4'-P-C4' energy: -164.163 flat angles P-C4'-P energy: -104.034 tors. eta vs tors. theta energy: -224.267 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: 2, replica: 1 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2552.174004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.174004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.174004 (E_RNA) where: Base-Base interactions energy: -1811.700 where: short stacking energy: -754.940 Base-Backbone interact. energy: -1.659 local terms energy: -738.814504 where: bonds (distance) C4'-P energy: -126.283 bonds (distance) P-C4' energy: -128.465 flat angles C4'-P-C4' energy: -153.394 flat angles P-C4'-P energy: -93.076 tors. eta vs tors. theta energy: -237.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2528.957865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.957865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.957865 (E_RNA) where: Base-Base interactions energy: -1770.463 where: short stacking energy: -732.088 Base-Backbone interact. energy: -3.168 local terms energy: -755.327246 where: bonds (distance) C4'-P energy: -135.912 bonds (distance) P-C4' energy: -129.386 flat angles C4'-P-C4' energy: -151.316 flat angles P-C4'-P energy: -110.742 tors. eta vs tors. theta energy: -227.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2347.173145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.173145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.173145 (E_RNA) where: Base-Base interactions energy: -1625.227 where: short stacking energy: -670.077 Base-Backbone interact. energy: -2.312 local terms energy: -719.633814 where: bonds (distance) C4'-P energy: -146.043 bonds (distance) P-C4' energy: -119.790 flat angles C4'-P-C4' energy: -150.345 flat angles P-C4'-P energy: -89.729 tors. eta vs tors. theta energy: -213.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2139.479406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.479406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.479406 (E_RNA) where: Base-Base interactions energy: -1475.811 where: short stacking energy: -628.788 Base-Backbone interact. energy: -2.886 local terms energy: -660.782612 where: bonds (distance) C4'-P energy: -116.190 bonds (distance) P-C4' energy: -127.436 flat angles C4'-P-C4' energy: -147.646 flat angles P-C4'-P energy: -92.184 tors. eta vs tors. theta energy: -177.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2049.359265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.359265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.359265 (E_RNA) where: Base-Base interactions energy: -1426.234 where: short stacking energy: -586.052 Base-Backbone interact. energy: -5.092 local terms energy: -618.033166 where: bonds (distance) C4'-P energy: -121.191 bonds (distance) P-C4' energy: -111.245 flat angles C4'-P-C4' energy: -145.838 flat angles P-C4'-P energy: -88.057 tors. eta vs tors. theta energy: -151.703 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: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1922.191714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.191714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.191714 (E_RNA) where: Base-Base interactions energy: -1351.276 where: short stacking energy: -574.810 Base-Backbone interact. energy: 0.384 local terms energy: -571.299703 where: bonds (distance) C4'-P energy: -79.888 bonds (distance) P-C4' energy: -114.476 flat angles C4'-P-C4' energy: -133.774 flat angles P-C4'-P energy: -80.981 tors. eta vs tors. theta energy: -162.180 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: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1735.455946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.455946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.455946 (E_RNA) where: Base-Base interactions energy: -1195.634 where: short stacking energy: -501.147 Base-Backbone interact. energy: 1.315 local terms energy: -541.136510 where: bonds (distance) C4'-P energy: -98.154 bonds (distance) P-C4' energy: -125.313 flat angles C4'-P-C4' energy: -116.575 flat angles P-C4'-P energy: -77.954 tors. eta vs tors. theta energy: -123.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1811.285859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.285859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.285859 (E_RNA) where: Base-Base interactions energy: -1248.527 where: short stacking energy: -490.535 Base-Backbone interact. energy: -0.587 local terms energy: -562.171683 where: bonds (distance) C4'-P energy: -101.338 bonds (distance) P-C4' energy: -115.422 flat angles C4'-P-C4' energy: -128.803 flat angles P-C4'-P energy: -83.078 tors. eta vs tors. theta energy: -133.531 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: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1357.879710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.879710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.879710 (E_RNA) where: Base-Base interactions energy: -899.875 where: short stacking energy: -371.567 Base-Backbone interact. energy: 0.171 local terms energy: -458.175658 where: bonds (distance) C4'-P energy: -103.521 bonds (distance) P-C4' energy: -103.503 flat angles C4'-P-C4' energy: -101.042 flat angles P-C4'-P energy: -62.845 tors. eta vs tors. theta energy: -87.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2644.014332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.014332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.014332 (E_RNA) where: Base-Base interactions energy: -1863.682 where: short stacking energy: -767.417 Base-Backbone interact. energy: -2.386 local terms energy: -777.947160 where: bonds (distance) C4'-P energy: -140.427 bonds (distance) P-C4' energy: -129.963 flat angles C4'-P-C4' energy: -162.275 flat angles P-C4'-P energy: -115.644 tors. eta vs tors. theta energy: -229.639 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: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2540.752234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.752234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.752234 (E_RNA) where: Base-Base interactions energy: -1817.873 where: short stacking energy: -764.132 Base-Backbone interact. energy: 0.895 local terms energy: -723.774330 where: bonds (distance) C4'-P energy: -123.009 bonds (distance) P-C4' energy: -126.097 flat angles C4'-P-C4' energy: -147.439 flat angles P-C4'-P energy: -97.154 tors. eta vs tors. theta energy: -230.074 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: 9 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2487.314670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.314670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.314670 (E_RNA) where: Base-Base interactions energy: -1749.955 where: short stacking energy: -721.849 Base-Backbone interact. energy: 0.531 local terms energy: -737.890676 where: bonds (distance) C4'-P energy: -120.170 bonds (distance) P-C4' energy: -118.481 flat angles C4'-P-C4' energy: -164.867 flat angles P-C4'-P energy: -110.635 tors. eta vs tors. theta energy: -223.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2300.839064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.839064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.839064 (E_RNA) where: Base-Base interactions energy: -1598.721 where: short stacking energy: -672.486 Base-Backbone interact. energy: -1.136 local terms energy: -700.981914 where: bonds (distance) C4'-P energy: -124.621 bonds (distance) P-C4' energy: -125.030 flat angles C4'-P-C4' energy: -153.399 flat angles P-C4'-P energy: -98.365 tors. eta vs tors. theta energy: -199.566 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: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2113.487152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.487152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.487152 (E_RNA) where: Base-Base interactions energy: -1506.054 where: short stacking energy: -619.235 Base-Backbone interact. energy: -1.403 local terms energy: -606.030153 where: bonds (distance) C4'-P energy: -98.829 bonds (distance) P-C4' energy: -120.664 flat angles C4'-P-C4' energy: -131.639 flat angles P-C4'-P energy: -89.465 tors. eta vs tors. theta energy: -165.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2051.660517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.660517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.660517 (E_RNA) where: Base-Base interactions energy: -1436.836 where: short stacking energy: -601.523 Base-Backbone interact. energy: -2.734 local terms energy: -612.090397 where: bonds (distance) C4'-P energy: -117.017 bonds (distance) P-C4' energy: -126.053 flat angles C4'-P-C4' energy: -124.738 flat angles P-C4'-P energy: -78.739 tors. eta vs tors. theta energy: -165.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1974.979054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.979054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.979054 (E_RNA) where: Base-Base interactions energy: -1394.828 where: short stacking energy: -586.293 Base-Backbone interact. energy: -1.806 local terms energy: -578.345218 where: bonds (distance) C4'-P energy: -113.376 bonds (distance) P-C4' energy: -104.854 flat angles C4'-P-C4' energy: -133.046 flat angles P-C4'-P energy: -76.922 tors. eta vs tors. theta energy: -150.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1889.961859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.961859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.961859 (E_RNA) where: Base-Base interactions energy: -1287.448 where: short stacking energy: -550.319 Base-Backbone interact. energy: -1.902 local terms energy: -600.611946 where: bonds (distance) C4'-P energy: -100.485 bonds (distance) P-C4' energy: -124.562 flat angles C4'-P-C4' energy: -133.449 flat angles P-C4'-P energy: -85.327 tors. eta vs tors. theta energy: -156.790 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: 9, replica: 6 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1687.476824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.476824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.476824 (E_RNA) where: Base-Base interactions energy: -1170.066 where: short stacking energy: -487.732 Base-Backbone interact. energy: -2.020 local terms energy: -515.391392 where: bonds (distance) C4'-P energy: -97.554 bonds (distance) P-C4' energy: -95.730 flat angles C4'-P-C4' energy: -106.424 flat angles P-C4'-P energy: -81.583 tors. eta vs tors. theta energy: -134.100 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: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1399.533998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.533998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.533998 (E_RNA) where: Base-Base interactions energy: -916.489 where: short stacking energy: -389.172 Base-Backbone interact. energy: 0.578 local terms energy: -483.623022 where: bonds (distance) C4'-P energy: -98.404 bonds (distance) P-C4' energy: -105.438 flat angles C4'-P-C4' energy: -122.299 flat angles P-C4'-P energy: -65.200 tors. eta vs tors. theta energy: -92.282 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: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2649.770608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.770608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.770608 (E_RNA) where: Base-Base interactions energy: -1858.305 where: short stacking energy: -768.115 Base-Backbone interact. energy: -1.893 local terms energy: -789.573237 where: bonds (distance) C4'-P energy: -145.459 bonds (distance) P-C4' energy: -138.283 flat angles C4'-P-C4' energy: -164.874 flat angles P-C4'-P energy: -110.005 tors. eta vs tors. theta energy: -230.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2548.898339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.898339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.898339 (E_RNA) where: Base-Base interactions energy: -1777.624 where: short stacking energy: -737.316 Base-Backbone interact. energy: -1.891 local terms energy: -769.383489 where: bonds (distance) C4'-P energy: -139.472 bonds (distance) P-C4' energy: -135.055 flat angles C4'-P-C4' energy: -153.420 flat angles P-C4'-P energy: -119.922 tors. eta vs tors. theta energy: -221.514 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: 178 Temperature: 1.000000 Total energy: -2497.390357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.390357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.390357 (E_RNA) where: Base-Base interactions energy: -1779.633 where: short stacking energy: -733.666 Base-Backbone interact. energy: -0.832 local terms energy: -716.925672 where: bonds (distance) C4'-P energy: -115.103 bonds (distance) P-C4' energy: -124.522 flat angles C4'-P-C4' energy: -143.731 flat angles P-C4'-P energy: -106.179 tors. eta vs tors. theta energy: -227.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2295.489117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.489117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.489117 (E_RNA) where: Base-Base interactions energy: -1611.171 where: short stacking energy: -691.621 Base-Backbone interact. energy: -3.451 local terms energy: -680.866979 where: bonds (distance) C4'-P energy: -115.002 bonds (distance) P-C4' energy: -129.465 flat angles C4'-P-C4' energy: -144.747 flat angles P-C4'-P energy: -85.506 tors. eta vs tors. theta energy: -206.147 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: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2136.093213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.093213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.093213 (E_RNA) where: Base-Base interactions energy: -1473.036 where: short stacking energy: -664.618 Base-Backbone interact. energy: -3.470 local terms energy: -659.588018 where: bonds (distance) C4'-P energy: -111.510 bonds (distance) P-C4' energy: -107.586 flat angles C4'-P-C4' energy: -142.386 flat angles P-C4'-P energy: -98.421 tors. eta vs tors. theta energy: -199.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2060.827053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.827053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.827053 (E_RNA) where: Base-Base interactions energy: -1425.388 where: short stacking energy: -586.491 Base-Backbone interact. energy: -1.777 local terms energy: -633.661582 where: bonds (distance) C4'-P energy: -108.610 bonds (distance) P-C4' energy: -109.852 flat angles C4'-P-C4' energy: -155.023 flat angles P-C4'-P energy: -86.839 tors. eta vs tors. theta energy: -173.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1946.124612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.124612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.124612 (E_RNA) where: Base-Base interactions energy: -1342.297 where: short stacking energy: -574.051 Base-Backbone interact. energy: 0.739 local terms energy: -604.566028 where: bonds (distance) C4'-P energy: -114.712 bonds (distance) P-C4' energy: -126.981 flat angles C4'-P-C4' energy: -121.379 flat angles P-C4'-P energy: -84.182 tors. eta vs tors. theta energy: -157.313 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: 8 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1929.967434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.967434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.967434 (E_RNA) where: Base-Base interactions energy: -1370.655 where: short stacking energy: -561.901 Base-Backbone interact. energy: -3.841 local terms energy: -555.471675 where: bonds (distance) C4'-P energy: -107.121 bonds (distance) P-C4' energy: -106.493 flat angles C4'-P-C4' energy: -123.129 flat angles P-C4'-P energy: -63.493 tors. eta vs tors. theta energy: -155.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1583.829263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.829263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.829263 (E_RNA) where: Base-Base interactions energy: -1058.392 where: short stacking energy: -452.627 Base-Backbone interact. energy: 6.382 local terms energy: -531.819045 where: bonds (distance) C4'-P energy: -101.661 bonds (distance) P-C4' energy: -107.155 flat angles C4'-P-C4' energy: -139.137 flat angles P-C4'-P energy: -85.684 tors. eta vs tors. theta energy: -98.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -1373.621680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.621680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.621680 (E_RNA) where: Base-Base interactions energy: -937.892 where: short stacking energy: -422.701 Base-Backbone interact. energy: 4.570 local terms energy: -440.299448 where: bonds (distance) C4'-P energy: -78.041 bonds (distance) P-C4' energy: -99.864 flat angles C4'-P-C4' energy: -114.184 flat angles P-C4'-P energy: -64.916 tors. eta vs tors. theta energy: -83.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2645.342830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.342830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.342830 (E_RNA) where: Base-Base interactions energy: -1891.600 where: short stacking energy: -779.331 Base-Backbone interact. energy: 4.235 local terms energy: -757.977864 where: bonds (distance) C4'-P energy: -134.145 bonds (distance) P-C4' energy: -128.208 flat angles C4'-P-C4' energy: -156.208 flat angles P-C4'-P energy: -113.273 tors. eta vs tors. theta energy: -226.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2539.157420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.157420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.157420 (E_RNA) where: Base-Base interactions energy: -1773.785 where: short stacking energy: -704.516 Base-Backbone interact. energy: -3.585 local terms energy: -761.787263 where: bonds (distance) C4'-P energy: -131.611 bonds (distance) P-C4' energy: -151.954 flat angles C4'-P-C4' energy: -154.638 flat angles P-C4'-P energy: -99.740 tors. eta vs tors. theta energy: -223.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2477.863321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.863321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.863321 (E_RNA) where: Base-Base interactions energy: -1759.085 where: short stacking energy: -710.150 Base-Backbone interact. energy: -2.383 local terms energy: -716.394715 where: bonds (distance) C4'-P energy: -126.577 bonds (distance) P-C4' energy: -122.054 flat angles C4'-P-C4' energy: -149.755 flat angles P-C4'-P energy: -100.751 tors. eta vs tors. theta energy: -217.257 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: 7 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2266.973958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.973958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.973958 (E_RNA) where: Base-Base interactions energy: -1576.626 where: short stacking energy: -661.438 Base-Backbone interact. energy: -4.234 local terms energy: -686.114271 where: bonds (distance) C4'-P energy: -109.933 bonds (distance) P-C4' energy: -133.760 flat angles C4'-P-C4' energy: -141.566 flat angles P-C4'-P energy: -101.368 tors. eta vs tors. theta energy: -199.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2199.825020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.825020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.825020 (E_RNA) where: Base-Base interactions energy: -1525.365 where: short stacking energy: -653.476 Base-Backbone interact. energy: -3.292 local terms energy: -671.168010 where: bonds (distance) C4'-P energy: -126.689 bonds (distance) P-C4' energy: -114.600 flat angles C4'-P-C4' energy: -143.120 flat angles P-C4'-P energy: -96.211 tors. eta vs tors. theta energy: -190.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2053.193423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.193423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.193423 (E_RNA) where: Base-Base interactions energy: -1446.875 where: short stacking energy: -601.338 Base-Backbone interact. energy: -1.361 local terms energy: -604.956847 where: bonds (distance) C4'-P energy: -115.553 bonds (distance) P-C4' energy: -100.014 flat angles C4'-P-C4' energy: -131.037 flat angles P-C4'-P energy: -95.545 tors. eta vs tors. theta energy: -162.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1989.141411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.141411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.141411 (E_RNA) where: Base-Base interactions energy: -1405.178 where: short stacking energy: -582.547 Base-Backbone interact. energy: 0.521 local terms energy: -584.485138 where: bonds (distance) C4'-P energy: -114.118 bonds (distance) P-C4' energy: -113.366 flat angles C4'-P-C4' energy: -112.880 flat angles P-C4'-P energy: -88.225 tors. eta vs tors. theta energy: -155.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1923.794751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.794751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.794751 (E_RNA) where: Base-Base interactions energy: -1390.450 where: short stacking energy: -573.028 Base-Backbone interact. energy: 7.334 local terms energy: -540.678492 where: bonds (distance) C4'-P energy: -94.498 bonds (distance) P-C4' energy: -93.465 flat angles C4'-P-C4' energy: -131.996 flat angles P-C4'-P energy: -69.374 tors. eta vs tors. theta energy: -151.345 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: 6 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1635.830345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.830345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.830345 (E_RNA) where: Base-Base interactions energy: -1060.543 where: short stacking energy: -439.510 Base-Backbone interact. energy: 1.828 local terms energy: -577.115517 where: bonds (distance) C4'-P energy: -125.946 bonds (distance) P-C4' energy: -134.521 flat angles C4'-P-C4' energy: -121.879 flat angles P-C4'-P energy: -82.981 tors. eta vs tors. theta energy: -111.789 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: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1404.871848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.871848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.871848 (E_RNA) where: Base-Base interactions energy: -927.397 where: short stacking energy: -403.017 Base-Backbone interact. energy: 0.161 local terms energy: -477.635321 where: bonds (distance) C4'-P energy: -121.250 bonds (distance) P-C4' energy: -88.432 flat angles C4'-P-C4' energy: -111.572 flat angles P-C4'-P energy: -70.928 tors. eta vs tors. theta energy: -85.454 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: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2649.568516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.568516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.568516 (E_RNA) where: Base-Base interactions energy: -1904.567 where: short stacking energy: -784.269 Base-Backbone interact. energy: -2.318 local terms energy: -742.683253 where: bonds (distance) C4'-P energy: -128.938 bonds (distance) P-C4' energy: -125.669 flat angles C4'-P-C4' energy: -155.074 flat angles P-C4'-P energy: -108.721 tors. eta vs tors. theta energy: -224.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2583.654295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.654295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.654295 (E_RNA) where: Base-Base interactions energy: -1821.067 where: short stacking energy: -745.197 Base-Backbone interact. energy: -3.223 local terms energy: -759.363895 where: bonds (distance) C4'-P energy: -131.307 bonds (distance) P-C4' energy: -122.572 flat angles C4'-P-C4' energy: -158.812 flat angles P-C4'-P energy: -108.422 tors. eta vs tors. theta energy: -238.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2492.228113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.228113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.228113 (E_RNA) where: Base-Base interactions energy: -1742.989 where: short stacking energy: -727.340 Base-Backbone interact. energy: -2.075 local terms energy: -747.164651 where: bonds (distance) C4'-P energy: -121.952 bonds (distance) P-C4' energy: -144.100 flat angles C4'-P-C4' energy: -156.545 flat angles P-C4'-P energy: -106.343 tors. eta vs tors. theta energy: -218.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2261.257195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.257195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.257195 (E_RNA) where: Base-Base interactions energy: -1587.590 where: short stacking energy: -686.005 Base-Backbone interact. energy: 0.002 local terms energy: -673.669205 where: bonds (distance) C4'-P energy: -122.668 bonds (distance) P-C4' energy: -115.958 flat angles C4'-P-C4' energy: -135.011 flat angles P-C4'-P energy: -100.365 tors. eta vs tors. theta energy: -199.666 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: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2115.847599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.847599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.847599 (E_RNA) where: Base-Base interactions energy: -1459.516 where: short stacking energy: -631.206 Base-Backbone interact. energy: -0.727 local terms energy: -655.605425 where: bonds (distance) C4'-P energy: -129.072 bonds (distance) P-C4' energy: -111.448 flat angles C4'-P-C4' energy: -141.282 flat angles P-C4'-P energy: -85.238 tors. eta vs tors. theta energy: -188.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2116.297812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.297812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.297812 (E_RNA) where: Base-Base interactions energy: -1469.347 where: short stacking energy: -612.855 Base-Backbone interact. energy: -1.962 local terms energy: -644.988600 where: bonds (distance) C4'-P energy: -122.126 bonds (distance) P-C4' energy: -119.633 flat angles C4'-P-C4' energy: -136.963 flat angles P-C4'-P energy: -85.373 tors. eta vs tors. theta energy: -180.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -2023.689370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.689370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.689370 (E_RNA) where: Base-Base interactions energy: -1441.699 where: short stacking energy: -575.980 Base-Backbone interact. energy: -1.478 local terms energy: -580.512272 where: bonds (distance) C4'-P energy: -116.491 bonds (distance) P-C4' energy: -107.063 flat angles C4'-P-C4' energy: -121.822 flat angles P-C4'-P energy: -77.987 tors. eta vs tors. theta energy: -157.150 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: 3 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1834.932560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.932560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.932560 (E_RNA) where: Base-Base interactions energy: -1284.522 where: short stacking energy: -519.551 Base-Backbone interact. energy: -1.810 local terms energy: -548.600231 where: bonds (distance) C4'-P energy: -102.385 bonds (distance) P-C4' energy: -104.708 flat angles C4'-P-C4' energy: -137.045 flat angles P-C4'-P energy: -52.120 tors. eta vs tors. theta energy: -152.342 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: 6 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1546.197310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.197310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.197310 (E_RNA) where: Base-Base interactions energy: -1048.282 where: short stacking energy: -434.690 Base-Backbone interact. energy: 7.695 local terms energy: -505.610118 where: bonds (distance) C4'-P energy: -105.326 bonds (distance) P-C4' energy: -100.941 flat angles C4'-P-C4' energy: -115.991 flat angles P-C4'-P energy: -76.541 tors. eta vs tors. theta energy: -106.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1319.281560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.281560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.281560 (E_RNA) where: Base-Base interactions energy: -868.860 where: short stacking energy: -360.750 Base-Backbone interact. energy: 5.316 local terms energy: -455.737507 where: bonds (distance) C4'-P energy: -113.213 bonds (distance) P-C4' energy: -101.137 flat angles C4'-P-C4' energy: -119.904 flat angles P-C4'-P energy: -57.206 tors. eta vs tors. theta energy: -64.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2608.388725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.388725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.388725 (E_RNA) where: Base-Base interactions energy: -1831.968 where: short stacking energy: -743.896 Base-Backbone interact. energy: -1.803 local terms energy: -774.618106 where: bonds (distance) C4'-P energy: -130.983 bonds (distance) P-C4' energy: -135.412 flat angles C4'-P-C4' energy: -167.011 flat angles P-C4'-P energy: -120.580 tors. eta vs tors. theta energy: -220.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2564.327936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.327936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.327936 (E_RNA) where: Base-Base interactions energy: -1815.065 where: short stacking energy: -765.919 Base-Backbone interact. energy: -2.312 local terms energy: -746.950862 where: bonds (distance) C4'-P energy: -121.696 bonds (distance) P-C4' energy: -134.561 flat angles C4'-P-C4' energy: -156.607 flat angles P-C4'-P energy: -100.527 tors. eta vs tors. theta energy: -233.559 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: 9 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2505.484450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.484450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.484450 (E_RNA) where: Base-Base interactions energy: -1779.178 where: short stacking energy: -734.024 Base-Backbone interact. energy: -2.507 local terms energy: -723.799488 where: bonds (distance) C4'-P energy: -121.685 bonds (distance) P-C4' energy: -120.799 flat angles C4'-P-C4' energy: -148.966 flat angles P-C4'-P energy: -105.201 tors. eta vs tors. theta energy: -227.150 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: 4, replica: 7 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2237.517042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.517042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.517042 (E_RNA) where: Base-Base interactions energy: -1542.310 where: short stacking energy: -667.894 Base-Backbone interact. energy: -3.815 local terms energy: -691.391850 where: bonds (distance) C4'-P energy: -130.337 bonds (distance) P-C4' energy: -122.776 flat angles C4'-P-C4' energy: -142.813 flat angles P-C4'-P energy: -92.286 tors. eta vs tors. theta energy: -203.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2112.672761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.672761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.672761 (E_RNA) where: Base-Base interactions energy: -1443.601 where: short stacking energy: -638.756 Base-Backbone interact. energy: -2.665 local terms energy: -666.406116 where: bonds (distance) C4'-P energy: -108.895 bonds (distance) P-C4' energy: -131.702 flat angles C4'-P-C4' energy: -145.442 flat angles P-C4'-P energy: -92.399 tors. eta vs tors. theta energy: -187.968 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: 2 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2096.682856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.682856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.682856 (E_RNA) where: Base-Base interactions energy: -1468.900 where: short stacking energy: -610.271 Base-Backbone interact. energy: -2.540 local terms energy: -625.242695 where: bonds (distance) C4'-P energy: -101.460 bonds (distance) P-C4' energy: -103.719 flat angles C4'-P-C4' energy: -147.602 flat angles P-C4'-P energy: -87.759 tors. eta vs tors. theta energy: -184.704 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: 8 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -2081.201221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.201221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.201221 (E_RNA) where: Base-Base interactions energy: -1474.648 where: short stacking energy: -606.427 Base-Backbone interact. energy: 2.894 local terms energy: -609.446579 where: bonds (distance) C4'-P energy: -104.537 bonds (distance) P-C4' energy: -115.966 flat angles C4'-P-C4' energy: -135.815 flat angles P-C4'-P energy: -80.494 tors. eta vs tors. theta energy: -172.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1741.348148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.348148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.348148 (E_RNA) where: Base-Base interactions energy: -1193.132 where: short stacking energy: -485.209 Base-Backbone interact. energy: 0.647 local terms energy: -548.863461 where: bonds (distance) C4'-P energy: -103.214 bonds (distance) P-C4' energy: -102.049 flat angles C4'-P-C4' energy: -120.096 flat angles P-C4'-P energy: -80.411 tors. eta vs tors. theta energy: -143.093 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: 9, replica: 6 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1437.022781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.022781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.022781 (E_RNA) where: Base-Base interactions energy: -945.881 where: short stacking energy: -412.923 Base-Backbone interact. energy: -0.610 local terms energy: -490.531239 where: bonds (distance) C4'-P energy: -112.466 bonds (distance) P-C4' energy: -97.783 flat angles C4'-P-C4' energy: -121.635 flat angles P-C4'-P energy: -74.161 tors. eta vs tors. theta energy: -84.486 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: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1292.961210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.961210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.961210 (E_RNA) where: Base-Base interactions energy: -862.906 where: short stacking energy: -359.054 Base-Backbone interact. energy: 4.118 local terms energy: -434.172723 where: bonds (distance) C4'-P energy: -90.263 bonds (distance) P-C4' energy: -107.158 flat angles C4'-P-C4' energy: -104.085 flat angles P-C4'-P energy: -60.726 tors. eta vs tors. theta energy: -71.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2639.752933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.752933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.752933 (E_RNA) where: Base-Base interactions energy: -1870.536 where: short stacking energy: -769.376 Base-Backbone interact. energy: -1.934 local terms energy: -767.283408 where: bonds (distance) C4'-P energy: -139.537 bonds (distance) P-C4' energy: -143.923 flat angles C4'-P-C4' energy: -156.055 flat angles P-C4'-P energy: -103.078 tors. eta vs tors. theta energy: -224.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2538.243077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.243077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.243077 (E_RNA) where: Base-Base interactions energy: -1798.693 where: short stacking energy: -738.924 Base-Backbone interact. energy: 0.000 local terms energy: -739.550185 where: bonds (distance) C4'-P energy: -122.192 bonds (distance) P-C4' energy: -141.715 flat angles C4'-P-C4' energy: -154.502 flat angles P-C4'-P energy: -92.283 tors. eta vs tors. theta energy: -228.859 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: 9 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2488.044757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.044757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.044757 (E_RNA) where: Base-Base interactions energy: -1771.347 where: short stacking energy: -726.610 Base-Backbone interact. energy: 0.440 local terms energy: -717.138495 where: bonds (distance) C4'-P energy: -121.930 bonds (distance) P-C4' energy: -127.794 flat angles C4'-P-C4' energy: -147.226 flat angles P-C4'-P energy: -99.048 tors. eta vs tors. theta energy: -221.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2244.134413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.134413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.134413 (E_RNA) where: Base-Base interactions energy: -1594.170 where: short stacking energy: -683.592 Base-Backbone interact. energy: -1.548 local terms energy: -648.417346 where: bonds (distance) C4'-P energy: -98.290 bonds (distance) P-C4' energy: -119.454 flat angles C4'-P-C4' energy: -140.143 flat angles P-C4'-P energy: -98.574 tors. eta vs tors. theta energy: -191.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2162.188365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.188365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.188365 (E_RNA) where: Base-Base interactions energy: -1520.658 where: short stacking energy: -621.649 Base-Backbone interact. energy: -3.606 local terms energy: -637.924556 where: bonds (distance) C4'-P energy: -123.271 bonds (distance) P-C4' energy: -111.824 flat angles C4'-P-C4' energy: -127.591 flat angles P-C4'-P energy: -85.174 tors. eta vs tors. theta energy: -190.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2064.279754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.279754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.279754 (E_RNA) where: Base-Base interactions energy: -1421.413 where: short stacking energy: -620.425 Base-Backbone interact. energy: 0.119 local terms energy: -642.985963 where: bonds (distance) C4'-P energy: -126.926 bonds (distance) P-C4' energy: -121.564 flat angles C4'-P-C4' energy: -128.534 flat angles P-C4'-P energy: -94.365 tors. eta vs tors. theta energy: -171.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -2101.529861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.529861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.529861 (E_RNA) where: Base-Base interactions energy: -1483.269 where: short stacking energy: -599.169 Base-Backbone interact. energy: 1.066 local terms energy: -619.326477 where: bonds (distance) C4'-P energy: -132.827 bonds (distance) P-C4' energy: -106.641 flat angles C4'-P-C4' energy: -128.837 flat angles P-C4'-P energy: -77.651 tors. eta vs tors. theta energy: -173.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1752.972687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.972687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.972687 (E_RNA) where: Base-Base interactions energy: -1215.842 where: short stacking energy: -511.016 Base-Backbone interact. energy: -2.144 local terms energy: -534.986033 where: bonds (distance) C4'-P energy: -109.045 bonds (distance) P-C4' energy: -102.658 flat angles C4'-P-C4' energy: -121.938 flat angles P-C4'-P energy: -77.218 tors. eta vs tors. theta energy: -124.127 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: 9, replica: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1487.526829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.526829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.526829 (E_RNA) where: Base-Base interactions energy: -960.050 where: short stacking energy: -414.796 Base-Backbone interact. energy: 0.231 local terms energy: -527.707587 where: bonds (distance) C4'-P energy: -101.922 bonds (distance) P-C4' energy: -115.590 flat angles C4'-P-C4' energy: -117.356 flat angles P-C4'-P energy: -69.195 tors. eta vs tors. theta energy: -123.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -1352.004625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.004625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.004625 (E_RNA) where: Base-Base interactions energy: -903.783 where: short stacking energy: -388.118 Base-Backbone interact. energy: 0.550 local terms energy: -448.771878 where: bonds (distance) C4'-P energy: -97.767 bonds (distance) P-C4' energy: -102.340 flat angles C4'-P-C4' energy: -123.726 flat angles P-C4'-P energy: -38.233 tors. eta vs tors. theta energy: -86.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2645.834503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.834503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.834503 (E_RNA) where: Base-Base interactions energy: -1878.087 where: short stacking energy: -778.775 Base-Backbone interact. energy: 0.006 local terms energy: -767.753507 where: bonds (distance) C4'-P energy: -142.777 bonds (distance) P-C4' energy: -130.277 flat angles C4'-P-C4' energy: -160.627 flat angles P-C4'-P energy: -106.313 tors. eta vs tors. theta energy: -227.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2538.272044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.272044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.272044 (E_RNA) where: Base-Base interactions energy: -1784.013 where: short stacking energy: -743.412 Base-Backbone interact. energy: -1.906 local terms energy: -752.352565 where: bonds (distance) C4'-P energy: -118.998 bonds (distance) P-C4' energy: -140.171 flat angles C4'-P-C4' energy: -156.776 flat angles P-C4'-P energy: -106.287 tors. eta vs tors. theta energy: -230.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2502.114954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.114954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.114954 (E_RNA) where: Base-Base interactions energy: -1772.043 where: short stacking energy: -729.489 Base-Backbone interact. energy: -2.199 local terms energy: -727.872560 where: bonds (distance) C4'-P energy: -122.793 bonds (distance) P-C4' energy: -126.878 flat angles C4'-P-C4' energy: -143.995 flat angles P-C4'-P energy: -103.508 tors. eta vs tors. theta energy: -230.698 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: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2252.688668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.688668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.688668 (E_RNA) where: Base-Base interactions energy: -1580.150 where: short stacking energy: -671.696 Base-Backbone interact. energy: -3.079 local terms energy: -669.460236 where: bonds (distance) C4'-P energy: -114.772 bonds (distance) P-C4' energy: -120.969 flat angles C4'-P-C4' energy: -137.571 flat angles P-C4'-P energy: -93.552 tors. eta vs tors. theta energy: -202.596 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: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2149.111938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.111938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.111938 (E_RNA) where: Base-Base interactions energy: -1485.878 where: short stacking energy: -596.337 Base-Backbone interact. energy: 3.972 local terms energy: -667.205585 where: bonds (distance) C4'-P energy: -121.125 bonds (distance) P-C4' energy: -118.995 flat angles C4'-P-C4' energy: -149.992 flat angles P-C4'-P energy: -91.341 tors. eta vs tors. theta energy: -185.753 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: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2075.248530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.248530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.248530 (E_RNA) where: Base-Base interactions energy: -1440.153 where: short stacking energy: -624.457 Base-Backbone interact. energy: -2.917 local terms energy: -632.178346 where: bonds (distance) C4'-P energy: -112.964 bonds (distance) P-C4' energy: -133.823 flat angles C4'-P-C4' energy: -136.920 flat angles P-C4'-P energy: -71.517 tors. eta vs tors. theta energy: -176.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -2084.009781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.009781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.009781 (E_RNA) where: Base-Base interactions energy: -1469.391 where: short stacking energy: -609.050 Base-Backbone interact. energy: 3.838 local terms energy: -618.456545 where: bonds (distance) C4'-P energy: -104.430 bonds (distance) P-C4' energy: -116.501 flat angles C4'-P-C4' energy: -131.876 flat angles P-C4'-P energy: -85.073 tors. eta vs tors. theta energy: -180.577 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: 8, replica: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1782.185204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.185204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.185204 (E_RNA) where: Base-Base interactions energy: -1252.454 where: short stacking energy: -538.792 Base-Backbone interact. energy: 3.675 local terms energy: -533.405952 where: bonds (distance) C4'-P energy: -99.174 bonds (distance) P-C4' energy: -106.246 flat angles C4'-P-C4' energy: -129.703 flat angles P-C4'-P energy: -64.278 tors. eta vs tors. theta energy: -134.005 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: 6 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1518.631167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.631167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.631167 (E_RNA) where: Base-Base interactions energy: -1046.548 where: short stacking energy: -441.453 Base-Backbone interact. energy: 3.200 local terms energy: -475.283112 where: bonds (distance) C4'-P energy: -97.267 bonds (distance) P-C4' energy: -91.552 flat angles C4'-P-C4' energy: -128.399 flat angles P-C4'-P energy: -53.315 tors. eta vs tors. theta energy: -104.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1305.250199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.250199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.250199 (E_RNA) where: Base-Base interactions energy: -865.467 where: short stacking energy: -380.901 Base-Backbone interact. energy: 2.249 local terms energy: -442.032097 where: bonds (distance) C4'-P energy: -76.922 bonds (distance) P-C4' energy: -118.554 flat angles C4'-P-C4' energy: -119.796 flat angles P-C4'-P energy: -53.957 tors. eta vs tors. theta energy: -72.803 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: 184 Temperature: 0.900000 Total energy: -2636.815131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.815131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.815131 (E_RNA) where: Base-Base interactions energy: -1884.913 where: short stacking energy: -781.760 Base-Backbone interact. energy: -1.460 local terms energy: -750.441937 where: bonds (distance) C4'-P energy: -129.713 bonds (distance) P-C4' energy: -122.226 flat angles C4'-P-C4' energy: -159.322 flat angles P-C4'-P energy: -114.844 tors. eta vs tors. theta energy: -224.337 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: 2, replica: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2534.051547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.051547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.051547 (E_RNA) where: Base-Base interactions energy: -1789.397 where: short stacking energy: -711.263 Base-Backbone interact. energy: -3.758 local terms energy: -740.897379 where: bonds (distance) C4'-P energy: -133.807 bonds (distance) P-C4' energy: -129.873 flat angles C4'-P-C4' energy: -151.123 flat angles P-C4'-P energy: -105.202 tors. eta vs tors. theta energy: -220.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2495.179556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.179556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.179556 (E_RNA) where: Base-Base interactions energy: -1766.732 where: short stacking energy: -737.862 Base-Backbone interact. energy: -1.591 local terms energy: -726.856966 where: bonds (distance) C4'-P energy: -109.484 bonds (distance) P-C4' energy: -127.459 flat angles C4'-P-C4' energy: -159.660 flat angles P-C4'-P energy: -112.241 tors. eta vs tors. theta energy: -218.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2252.013856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.013856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.013856 (E_RNA) where: Base-Base interactions energy: -1590.756 where: short stacking energy: -673.701 Base-Backbone interact. energy: 0.783 local terms energy: -662.040779 where: bonds (distance) C4'-P energy: -119.241 bonds (distance) P-C4' energy: -120.478 flat angles C4'-P-C4' energy: -136.019 flat angles P-C4'-P energy: -91.769 tors. eta vs tors. theta energy: -194.533 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: 184 Temperature: 1.100000 Total energy: -2109.379069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.379069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.379069 (E_RNA) where: Base-Base interactions energy: -1459.348 where: short stacking energy: -644.640 Base-Backbone interact. energy: -0.796 local terms energy: -649.235298 where: bonds (distance) C4'-P energy: -113.430 bonds (distance) P-C4' energy: -125.533 flat angles C4'-P-C4' energy: -135.132 flat angles P-C4'-P energy: -94.946 tors. eta vs tors. theta energy: -180.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2117.580740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.580740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.580740 (E_RNA) where: Base-Base interactions energy: -1494.823 where: short stacking energy: -624.407 Base-Backbone interact. energy: 2.068 local terms energy: -624.825699 where: bonds (distance) C4'-P energy: -114.264 bonds (distance) P-C4' energy: -108.963 flat angles C4'-P-C4' energy: -132.404 flat angles P-C4'-P energy: -86.009 tors. eta vs tors. theta energy: -183.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -2141.905280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.905280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.905280 (E_RNA) where: Base-Base interactions energy: -1509.947 where: short stacking energy: -631.199 Base-Backbone interact. energy: 2.153 local terms energy: -634.111795 where: bonds (distance) C4'-P energy: -113.090 bonds (distance) P-C4' energy: -132.137 flat angles C4'-P-C4' energy: -137.996 flat angles P-C4'-P energy: -69.874 tors. eta vs tors. theta energy: -181.015 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: 8, replica: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1739.349698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.349698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.349698 (E_RNA) where: Base-Base interactions energy: -1181.514 where: short stacking energy: -500.701 Base-Backbone interact. energy: -3.882 local terms energy: -553.953383 where: bonds (distance) C4'-P energy: -121.067 bonds (distance) P-C4' energy: -108.123 flat angles C4'-P-C4' energy: -125.672 flat angles P-C4'-P energy: -68.035 tors. eta vs tors. theta energy: -131.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1463.090772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.090772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.090772 (E_RNA) where: Base-Base interactions energy: -957.926 where: short stacking energy: -426.949 Base-Backbone interact. energy: 1.541 local terms energy: -506.706010 where: bonds (distance) C4'-P energy: -110.964 bonds (distance) P-C4' energy: -102.844 flat angles C4'-P-C4' energy: -108.390 flat angles P-C4'-P energy: -88.061 tors. eta vs tors. theta energy: -96.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1369.897485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.897485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.897485 (E_RNA) where: Base-Base interactions energy: -907.608 where: short stacking energy: -392.619 Base-Backbone interact. energy: 3.159 local terms energy: -465.448389 where: bonds (distance) C4'-P energy: -105.365 bonds (distance) P-C4' energy: -101.858 flat angles C4'-P-C4' energy: -102.287 flat angles P-C4'-P energy: -79.738 tors. eta vs tors. theta energy: -76.201 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: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2641.161497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.161497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.161497 (E_RNA) where: Base-Base interactions energy: -1876.994 where: short stacking energy: -763.276 Base-Backbone interact. energy: -3.245 local terms energy: -760.922167 where: bonds (distance) C4'-P energy: -136.513 bonds (distance) P-C4' energy: -127.806 flat angles C4'-P-C4' energy: -160.751 flat angles P-C4'-P energy: -113.911 tors. eta vs tors. theta energy: -221.940 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: 9 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2579.359793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.359793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.359793 (E_RNA) where: Base-Base interactions energy: -1826.994 where: short stacking energy: -740.085 Base-Backbone interact. energy: -3.682 local terms energy: -748.683914 where: bonds (distance) C4'-P energy: -124.128 bonds (distance) P-C4' energy: -121.706 flat angles C4'-P-C4' energy: -165.117 flat angles P-C4'-P energy: -119.960 tors. eta vs tors. theta energy: -217.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2507.689980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.689980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.689980 (E_RNA) where: Base-Base interactions energy: -1783.702 where: short stacking energy: -725.045 Base-Backbone interact. energy: -1.235 local terms energy: -722.753226 where: bonds (distance) C4'-P energy: -131.168 bonds (distance) P-C4' energy: -122.455 flat angles C4'-P-C4' energy: -157.204 flat angles P-C4'-P energy: -87.747 tors. eta vs tors. theta energy: -224.180 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: 4, replica: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2231.414677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.414677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.414677 (E_RNA) where: Base-Base interactions energy: -1539.749 where: short stacking energy: -647.127 Base-Backbone interact. energy: -1.790 local terms energy: -689.875807 where: bonds (distance) C4'-P energy: -114.503 bonds (distance) P-C4' energy: -132.623 flat angles C4'-P-C4' energy: -151.298 flat angles P-C4'-P energy: -103.198 tors. eta vs tors. theta energy: -188.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2179.258114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.258114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.258114 (E_RNA) where: Base-Base interactions energy: -1501.874 where: short stacking energy: -646.181 Base-Backbone interact. energy: 1.102 local terms energy: -678.486377 where: bonds (distance) C4'-P energy: -129.366 bonds (distance) P-C4' energy: -121.161 flat angles C4'-P-C4' energy: -142.688 flat angles P-C4'-P energy: -94.507 tors. eta vs tors. theta energy: -190.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2173.490780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.490780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.490780 (E_RNA) where: Base-Base interactions energy: -1530.939 where: short stacking energy: -636.094 Base-Backbone interact. energy: -1.223 local terms energy: -641.327920 where: bonds (distance) C4'-P energy: -122.089 bonds (distance) P-C4' energy: -117.989 flat angles C4'-P-C4' energy: -124.597 flat angles P-C4'-P energy: -96.289 tors. eta vs tors. theta energy: -180.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -2047.107538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.107538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.107538 (E_RNA) where: Base-Base interactions energy: -1464.515 where: short stacking energy: -601.853 Base-Backbone interact. energy: 2.119 local terms energy: -584.710851 where: bonds (distance) C4'-P energy: -114.400 bonds (distance) P-C4' energy: -108.278 flat angles C4'-P-C4' energy: -124.536 flat angles P-C4'-P energy: -67.022 tors. eta vs tors. theta energy: -170.475 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: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1764.643162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.643162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.643162 (E_RNA) where: Base-Base interactions energy: -1201.101 where: short stacking energy: -487.446 Base-Backbone interact. energy: 0.389 local terms energy: -563.930639 where: bonds (distance) C4'-P energy: -110.085 bonds (distance) P-C4' energy: -123.353 flat angles C4'-P-C4' energy: -137.300 flat angles P-C4'-P energy: -74.415 tors. eta vs tors. theta energy: -118.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1500.568949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.568949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.568949 (E_RNA) where: Base-Base interactions energy: -991.630 where: short stacking energy: -427.982 Base-Backbone interact. energy: -3.876 local terms energy: -505.062991 where: bonds (distance) C4'-P energy: -114.195 bonds (distance) P-C4' energy: -119.824 flat angles C4'-P-C4' energy: -113.287 flat angles P-C4'-P energy: -54.497 tors. eta vs tors. theta energy: -103.260 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: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -1373.123260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.123260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.123260 (E_RNA) where: Base-Base interactions energy: -926.517 where: short stacking energy: -396.513 Base-Backbone interact. energy: -0.379 local terms energy: -446.227731 where: bonds (distance) C4'-P energy: -94.939 bonds (distance) P-C4' energy: -110.921 flat angles C4'-P-C4' energy: -112.549 flat angles P-C4'-P energy: -57.967 tors. eta vs tors. theta energy: -69.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2653.546812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.546812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.546812 (E_RNA) where: Base-Base interactions energy: -1907.413 where: short stacking energy: -762.668 Base-Backbone interact. energy: -1.385 local terms energy: -744.749483 where: bonds (distance) C4'-P energy: -135.170 bonds (distance) P-C4' energy: -128.997 flat angles C4'-P-C4' energy: -156.762 flat angles P-C4'-P energy: -102.046 tors. eta vs tors. theta energy: -221.775 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: 2, replica: 9 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2547.534299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.534299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.534299 (E_RNA) where: Base-Base interactions energy: -1809.213 where: short stacking energy: -755.088 Base-Backbone interact. energy: -1.622 local terms energy: -736.699545 where: bonds (distance) C4'-P energy: -116.680 bonds (distance) P-C4' energy: -120.510 flat angles C4'-P-C4' energy: -158.641 flat angles P-C4'-P energy: -114.189 tors. eta vs tors. theta energy: -226.678 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: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2493.163597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.163597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.163597 (E_RNA) where: Base-Base interactions energy: -1775.744 where: short stacking energy: -722.013 Base-Backbone interact. energy: -0.372 local terms energy: -717.046839 where: bonds (distance) C4'-P energy: -125.906 bonds (distance) P-C4' energy: -119.985 flat angles C4'-P-C4' energy: -154.049 flat angles P-C4'-P energy: -88.714 tors. eta vs tors. theta energy: -228.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2221.219003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.219003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.219003 (E_RNA) where: Base-Base interactions energy: -1550.719 where: short stacking energy: -655.767 Base-Backbone interact. energy: -3.627 local terms energy: -666.872115 where: bonds (distance) C4'-P energy: -115.350 bonds (distance) P-C4' energy: -120.902 flat angles C4'-P-C4' energy: -143.953 flat angles P-C4'-P energy: -93.465 tors. eta vs tors. theta energy: -193.202 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: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2139.317961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.317961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.317961 (E_RNA) where: Base-Base interactions energy: -1480.097 where: short stacking energy: -633.583 Base-Backbone interact. energy: -2.771 local terms energy: -656.450792 where: bonds (distance) C4'-P energy: -122.461 bonds (distance) P-C4' energy: -114.447 flat angles C4'-P-C4' energy: -142.185 flat angles P-C4'-P energy: -90.959 tors. eta vs tors. theta energy: -186.400 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: 8 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2127.729777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.729777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.729777 (E_RNA) where: Base-Base interactions energy: -1502.485 where: short stacking energy: -614.151 Base-Backbone interact. energy: 2.413 local terms energy: -627.657058 where: bonds (distance) C4'-P energy: -98.899 bonds (distance) P-C4' energy: -117.215 flat angles C4'-P-C4' energy: -135.664 flat angles P-C4'-P energy: -97.398 tors. eta vs tors. theta energy: -178.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -2006.094395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.094395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.094395 (E_RNA) where: Base-Base interactions energy: -1399.567 where: short stacking energy: -577.245 Base-Backbone interact. energy: 2.379 local terms energy: -608.905476 where: bonds (distance) C4'-P energy: -100.588 bonds (distance) P-C4' energy: -116.303 flat angles C4'-P-C4' energy: -127.521 flat angles P-C4'-P energy: -85.313 tors. eta vs tors. theta energy: -179.181 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: 3 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1676.673843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.673843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.673843 (E_RNA) where: Base-Base interactions energy: -1166.289 where: short stacking energy: -475.399 Base-Backbone interact. energy: 3.565 local terms energy: -513.949759 where: bonds (distance) C4'-P energy: -85.415 bonds (distance) P-C4' energy: -112.462 flat angles C4'-P-C4' energy: -122.095 flat angles P-C4'-P energy: -82.870 tors. eta vs tors. theta energy: -111.108 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: 9, replica: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1479.640925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.640925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.640925 (E_RNA) where: Base-Base interactions energy: -989.967 where: short stacking energy: -421.626 Base-Backbone interact. energy: -3.117 local terms energy: -486.556674 where: bonds (distance) C4'-P energy: -105.254 bonds (distance) P-C4' energy: -98.888 flat angles C4'-P-C4' energy: -111.169 flat angles P-C4'-P energy: -69.920 tors. eta vs tors. theta energy: -101.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -1308.325366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.325366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.325366 (E_RNA) where: Base-Base interactions energy: -867.825 where: short stacking energy: -368.883 Base-Backbone interact. energy: 0.051 local terms energy: -440.551626 where: bonds (distance) C4'-P energy: -94.956 bonds (distance) P-C4' energy: -112.151 flat angles C4'-P-C4' energy: -104.208 flat angles P-C4'-P energy: -58.836 tors. eta vs tors. theta energy: -70.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2650.108799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.108799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.108799 (E_RNA) where: Base-Base interactions energy: -1886.207 where: short stacking energy: -772.123 Base-Backbone interact. energy: -0.729 local terms energy: -763.173618 where: bonds (distance) C4'-P energy: -133.480 bonds (distance) P-C4' energy: -122.329 flat angles C4'-P-C4' energy: -164.469 flat angles P-C4'-P energy: -110.918 tors. eta vs tors. theta energy: -231.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2567.982930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.982930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.982930 (E_RNA) where: Base-Base interactions energy: -1796.423 where: short stacking energy: -759.964 Base-Backbone interact. energy: -1.317 local terms energy: -770.242689 where: bonds (distance) C4'-P energy: -131.021 bonds (distance) P-C4' energy: -147.370 flat angles C4'-P-C4' energy: -154.816 flat angles P-C4'-P energy: -108.436 tors. eta vs tors. theta energy: -228.600 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: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2490.484336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.484336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.484336 (E_RNA) where: Base-Base interactions energy: -1747.146 where: short stacking energy: -714.619 Base-Backbone interact. energy: -1.926 local terms energy: -741.412656 where: bonds (distance) C4'-P energy: -127.408 bonds (distance) P-C4' energy: -129.236 flat angles C4'-P-C4' energy: -146.164 flat angles P-C4'-P energy: -116.461 tors. eta vs tors. theta energy: -222.144 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: 7 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2205.389858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.389858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.389858 (E_RNA) where: Base-Base interactions energy: -1557.062 where: short stacking energy: -663.305 Base-Backbone interact. energy: 1.355 local terms energy: -649.682736 where: bonds (distance) C4'-P energy: -112.998 bonds (distance) P-C4' energy: -114.619 flat angles C4'-P-C4' energy: -143.821 flat angles P-C4'-P energy: -91.831 tors. eta vs tors. theta energy: -186.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2162.438272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.438272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.438272 (E_RNA) where: Base-Base interactions energy: -1518.993 where: short stacking energy: -634.630 Base-Backbone interact. energy: 3.962 local terms energy: -647.407276 where: bonds (distance) C4'-P energy: -115.240 bonds (distance) P-C4' energy: -114.597 flat angles C4'-P-C4' energy: -142.475 flat angles P-C4'-P energy: -86.192 tors. eta vs tors. theta energy: -188.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2124.810333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.810333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.810333 (E_RNA) where: Base-Base interactions energy: -1505.960 where: short stacking energy: -599.262 Base-Backbone interact. energy: -1.683 local terms energy: -617.167055 where: bonds (distance) C4'-P energy: -111.314 bonds (distance) P-C4' energy: -120.659 flat angles C4'-P-C4' energy: -125.050 flat angles P-C4'-P energy: -90.809 tors. eta vs tors. theta energy: -169.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -2011.032910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.032910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.032910 (E_RNA) where: Base-Base interactions energy: -1434.518 where: short stacking energy: -585.243 Base-Backbone interact. energy: -0.031 local terms energy: -576.484086 where: bonds (distance) C4'-P energy: -90.863 bonds (distance) P-C4' energy: -97.563 flat angles C4'-P-C4' energy: -142.614 flat angles P-C4'-P energy: -87.744 tors. eta vs tors. theta energy: -157.700 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: 3 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1756.047163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.047163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.047163 (E_RNA) where: Base-Base interactions energy: -1203.937 where: short stacking energy: -498.582 Base-Backbone interact. energy: 5.566 local terms energy: -557.676638 where: bonds (distance) C4'-P energy: -99.207 bonds (distance) P-C4' energy: -123.536 flat angles C4'-P-C4' energy: -122.842 flat angles P-C4'-P energy: -82.372 tors. eta vs tors. theta energy: -129.720 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: 6 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1333.496043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.496043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.496043 (E_RNA) where: Base-Base interactions energy: -847.659 where: short stacking energy: -383.307 Base-Backbone interact. energy: -1.208 local terms energy: -484.628545 where: bonds (distance) C4'-P energy: -110.885 bonds (distance) P-C4' energy: -105.843 flat angles C4'-P-C4' energy: -113.252 flat angles P-C4'-P energy: -81.098 tors. eta vs tors. theta energy: -73.551 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: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1388.051887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.051887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.051887 (E_RNA) where: Base-Base interactions energy: -913.141 where: short stacking energy: -386.319 Base-Backbone interact. energy: 2.212 local terms energy: -477.122583 where: bonds (distance) C4'-P energy: -94.409 bonds (distance) P-C4' energy: -105.680 flat angles C4'-P-C4' energy: -122.401 flat angles P-C4'-P energy: -68.434 tors. eta vs tors. theta energy: -86.198 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: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2649.274977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.274977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.274977 (E_RNA) where: Base-Base interactions energy: -1880.762 where: short stacking energy: -757.399 Base-Backbone interact. energy: -1.533 local terms energy: -766.980177 where: bonds (distance) C4'-P energy: -128.749 bonds (distance) P-C4' energy: -138.974 flat angles C4'-P-C4' energy: -165.913 flat angles P-C4'-P energy: -109.401 tors. eta vs tors. theta energy: -223.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2566.718682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.718682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.718682 (E_RNA) where: Base-Base interactions energy: -1802.729 where: short stacking energy: -731.041 Base-Backbone interact. energy: -1.719 local terms energy: -762.270349 where: bonds (distance) C4'-P energy: -141.532 bonds (distance) P-C4' energy: -123.342 flat angles C4'-P-C4' energy: -152.276 flat angles P-C4'-P energy: -113.221 tors. eta vs tors. theta energy: -231.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2473.131415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.131415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.131415 (E_RNA) where: Base-Base interactions energy: -1755.128 where: short stacking energy: -736.978 Base-Backbone interact. energy: -0.811 local terms energy: -717.192631 where: bonds (distance) C4'-P energy: -125.694 bonds (distance) P-C4' energy: -126.719 flat angles C4'-P-C4' energy: -161.138 flat angles P-C4'-P energy: -92.557 tors. eta vs tors. theta energy: -211.085 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: 4, replica: 7 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2197.043682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.043682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.043682 (E_RNA) where: Base-Base interactions energy: -1525.886 where: short stacking energy: -658.270 Base-Backbone interact. energy: 0.699 local terms energy: -671.857055 where: bonds (distance) C4'-P energy: -123.526 bonds (distance) P-C4' energy: -126.337 flat angles C4'-P-C4' energy: -155.629 flat angles P-C4'-P energy: -88.887 tors. eta vs tors. theta energy: -177.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2211.213753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.213753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.213753 (E_RNA) where: Base-Base interactions energy: -1568.301 where: short stacking energy: -670.206 Base-Backbone interact. energy: -2.822 local terms energy: -640.090471 where: bonds (distance) C4'-P energy: -115.235 bonds (distance) P-C4' energy: -107.052 flat angles C4'-P-C4' energy: -134.505 flat angles P-C4'-P energy: -86.713 tors. eta vs tors. theta energy: -196.586 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: 5 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2086.968841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.968841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.968841 (E_RNA) where: Base-Base interactions energy: -1434.236 where: short stacking energy: -618.923 Base-Backbone interact. energy: -1.284 local terms energy: -651.448605 where: bonds (distance) C4'-P energy: -124.380 bonds (distance) P-C4' energy: -116.410 flat angles C4'-P-C4' energy: -136.817 flat angles P-C4'-P energy: -86.738 tors. eta vs tors. theta energy: -187.104 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: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -2069.441009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.441009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.441009 (E_RNA) where: Base-Base interactions energy: -1443.539 where: short stacking energy: -599.881 Base-Backbone interact. energy: 1.785 local terms energy: -627.686405 where: bonds (distance) C4'-P energy: -113.771 bonds (distance) P-C4' energy: -118.548 flat angles C4'-P-C4' energy: -122.424 flat angles P-C4'-P energy: -86.600 tors. eta vs tors. theta energy: -186.343 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: 8, replica: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1723.004753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.004753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.004753 (E_RNA) where: Base-Base interactions energy: -1167.994 where: short stacking energy: -503.715 Base-Backbone interact. energy: 1.967 local terms energy: -556.977586 where: bonds (distance) C4'-P energy: -106.659 bonds (distance) P-C4' energy: -113.635 flat angles C4'-P-C4' energy: -130.146 flat angles P-C4'-P energy: -76.573 tors. eta vs tors. theta energy: -129.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1430.108793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.108793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.108793 (E_RNA) where: Base-Base interactions energy: -954.357 where: short stacking energy: -401.167 Base-Backbone interact. energy: 3.505 local terms energy: -479.257109 where: bonds (distance) C4'-P energy: -110.204 bonds (distance) P-C4' energy: -100.834 flat angles C4'-P-C4' energy: -122.991 flat angles P-C4'-P energy: -68.829 tors. eta vs tors. theta energy: -76.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1283.287498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.287498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.287498 (E_RNA) where: Base-Base interactions energy: -825.627 where: short stacking energy: -370.591 Base-Backbone interact. energy: 0.307 local terms energy: -457.968029 where: bonds (distance) C4'-P energy: -94.145 bonds (distance) P-C4' energy: -101.088 flat angles C4'-P-C4' energy: -117.881 flat angles P-C4'-P energy: -64.245 tors. eta vs tors. theta energy: -80.610 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: 189 Temperature: 0.900000 Total energy: -2654.298526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.298526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.298526 (E_RNA) where: Base-Base interactions energy: -1882.403 where: short stacking energy: -770.618 Base-Backbone interact. energy: -2.126 local terms energy: -769.769785 where: bonds (distance) C4'-P energy: -124.076 bonds (distance) P-C4' energy: -143.837 flat angles C4'-P-C4' energy: -156.188 flat angles P-C4'-P energy: -118.624 tors. eta vs tors. theta energy: -227.044 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: 1 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2568.394874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.394874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.394874 (E_RNA) where: Base-Base interactions energy: -1813.692 where: short stacking energy: -738.131 Base-Backbone interact. energy: -2.480 local terms energy: -752.222829 where: bonds (distance) C4'-P energy: -149.026 bonds (distance) P-C4' energy: -123.249 flat angles C4'-P-C4' energy: -151.184 flat angles P-C4'-P energy: -98.340 tors. eta vs tors. theta energy: -230.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2520.224224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.224224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.224224 (E_RNA) where: Base-Base interactions energy: -1786.895 where: short stacking energy: -746.051 Base-Backbone interact. energy: -1.010 local terms energy: -732.319234 where: bonds (distance) C4'-P energy: -121.642 bonds (distance) P-C4' energy: -129.369 flat angles C4'-P-C4' energy: -150.550 flat angles P-C4'-P energy: -103.633 tors. eta vs tors. theta energy: -227.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2185.746495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.746495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.746495 (E_RNA) where: Base-Base interactions energy: -1513.852 where: short stacking energy: -654.282 Base-Backbone interact. energy: -0.472 local terms energy: -671.422716 where: bonds (distance) C4'-P energy: -117.684 bonds (distance) P-C4' energy: -131.631 flat angles C4'-P-C4' energy: -144.264 flat angles P-C4'-P energy: -84.456 tors. eta vs tors. theta energy: -193.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2232.084938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.084938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.084938 (E_RNA) where: Base-Base interactions energy: -1575.765 where: short stacking energy: -661.800 Base-Backbone interact. energy: -1.536 local terms energy: -654.783411 where: bonds (distance) C4'-P energy: -108.641 bonds (distance) P-C4' energy: -104.300 flat angles C4'-P-C4' energy: -140.743 flat angles P-C4'-P energy: -92.644 tors. eta vs tors. theta energy: -208.455 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: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2183.374930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.374930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.374930 (E_RNA) where: Base-Base interactions energy: -1535.100 where: short stacking energy: -629.857 Base-Backbone interact. energy: 1.912 local terms energy: -650.187105 where: bonds (distance) C4'-P energy: -111.508 bonds (distance) P-C4' energy: -121.806 flat angles C4'-P-C4' energy: -131.781 flat angles P-C4'-P energy: -100.925 tors. eta vs tors. theta energy: -184.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1987.720617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.720617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.720617 (E_RNA) where: Base-Base interactions energy: -1360.220 where: short stacking energy: -595.253 Base-Backbone interact. energy: -5.808 local terms energy: -621.693154 where: bonds (distance) C4'-P energy: -117.593 bonds (distance) P-C4' energy: -116.691 flat angles C4'-P-C4' energy: -129.134 flat angles P-C4'-P energy: -86.802 tors. eta vs tors. theta energy: -171.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1728.757137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.757137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.757137 (E_RNA) where: Base-Base interactions energy: -1160.626 where: short stacking energy: -501.059 Base-Backbone interact. energy: 0.469 local terms energy: -568.600316 where: bonds (distance) C4'-P energy: -102.932 bonds (distance) P-C4' energy: -122.659 flat angles C4'-P-C4' energy: -124.731 flat angles P-C4'-P energy: -80.010 tors. eta vs tors. theta energy: -138.269 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: 4 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1393.911078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.911078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.911078 (E_RNA) where: Base-Base interactions energy: -959.745 where: short stacking energy: -397.693 Base-Backbone interact. energy: -1.903 local terms energy: -432.263617 where: bonds (distance) C4'-P energy: -107.138 bonds (distance) P-C4' energy: -96.804 flat angles C4'-P-C4' energy: -103.985 flat angles P-C4'-P energy: -73.346 tors. eta vs tors. theta energy: -50.991 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: 10, replica: 6 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -1309.659733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.659733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.659733 (E_RNA) where: Base-Base interactions energy: -883.808 where: short stacking energy: -370.580 Base-Backbone interact. energy: 1.009 local terms energy: -426.861350 where: bonds (distance) C4'-P energy: -99.362 bonds (distance) P-C4' energy: -86.931 flat angles C4'-P-C4' energy: -93.697 flat angles P-C4'-P energy: -66.004 tors. eta vs tors. theta energy: -80.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2675.242428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.242428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.242428 (E_RNA) where: Base-Base interactions energy: -1912.594 where: short stacking energy: -777.741 Base-Backbone interact. energy: -3.473 local terms energy: -759.174699 where: bonds (distance) C4'-P energy: -131.936 bonds (distance) P-C4' energy: -128.981 flat angles C4'-P-C4' energy: -155.982 flat angles P-C4'-P energy: -115.146 tors. eta vs tors. theta energy: -227.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2543.496504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.496504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.496504 (E_RNA) where: Base-Base interactions energy: -1774.365 where: short stacking energy: -700.505 Base-Backbone interact. energy: 0.425 local terms energy: -769.556456 where: bonds (distance) C4'-P energy: -143.253 bonds (distance) P-C4' energy: -142.724 flat angles C4'-P-C4' energy: -159.597 flat angles P-C4'-P energy: -106.595 tors. eta vs tors. theta energy: -217.387 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: 9 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2524.041763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.041763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.041763 (E_RNA) where: Base-Base interactions energy: -1796.665 where: short stacking energy: -734.243 Base-Backbone interact. energy: -0.882 local terms energy: -726.494805 where: bonds (distance) C4'-P energy: -135.388 bonds (distance) P-C4' energy: -123.624 flat angles C4'-P-C4' energy: -145.744 flat angles P-C4'-P energy: -96.443 tors. eta vs tors. theta energy: -225.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2245.988281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.988281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.988281 (E_RNA) where: Base-Base interactions energy: -1560.876 where: short stacking energy: -675.163 Base-Backbone interact. energy: 0.208 local terms energy: -685.319902 where: bonds (distance) C4'-P energy: -112.434 bonds (distance) P-C4' energy: -123.302 flat angles C4'-P-C4' energy: -149.694 flat angles P-C4'-P energy: -100.644 tors. eta vs tors. theta energy: -199.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2229.425999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.425999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.425999 (E_RNA) where: Base-Base interactions energy: -1582.118 where: short stacking energy: -659.839 Base-Backbone interact. energy: -0.464 local terms energy: -646.844859 where: bonds (distance) C4'-P energy: -102.669 bonds (distance) P-C4' energy: -124.909 flat angles C4'-P-C4' energy: -134.272 flat angles P-C4'-P energy: -91.546 tors. eta vs tors. theta energy: -193.449 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: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2195.919682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.919682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.919682 (E_RNA) where: Base-Base interactions energy: -1521.623 where: short stacking energy: -638.556 Base-Backbone interact. energy: -0.530 local terms energy: -673.766480 where: bonds (distance) C4'-P energy: -125.321 bonds (distance) P-C4' energy: -119.168 flat angles C4'-P-C4' energy: -155.107 flat angles P-C4'-P energy: -91.242 tors. eta vs tors. theta energy: -182.928 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: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -2055.285413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.285413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.285413 (E_RNA) where: Base-Base interactions energy: -1404.961 where: short stacking energy: -643.902 Base-Backbone interact. energy: -2.688 local terms energy: -647.636020 where: bonds (distance) C4'-P energy: -113.572 bonds (distance) P-C4' energy: -112.804 flat angles C4'-P-C4' energy: -133.110 flat angles P-C4'-P energy: -101.363 tors. eta vs tors. theta energy: -186.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1739.620738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.620738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.620738 (E_RNA) where: Base-Base interactions energy: -1163.980 where: short stacking energy: -466.295 Base-Backbone interact. energy: 0.186 local terms energy: -575.827078 where: bonds (distance) C4'-P energy: -107.788 bonds (distance) P-C4' energy: -113.032 flat angles C4'-P-C4' energy: -132.487 flat angles P-C4'-P energy: -87.592 tors. eta vs tors. theta energy: -134.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1410.847702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.847702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.847702 (E_RNA) where: Base-Base interactions energy: -953.487 where: short stacking energy: -401.623 Base-Backbone interact. energy: -1.531 local terms energy: -455.829450 where: bonds (distance) C4'-P energy: -104.703 bonds (distance) P-C4' energy: -104.515 flat angles C4'-P-C4' energy: -95.960 flat angles P-C4'-P energy: -74.694 tors. eta vs tors. theta energy: -75.958 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: 6 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -1323.050027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.050027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.050027 (E_RNA) where: Base-Base interactions energy: -840.276 where: short stacking energy: -376.070 Base-Backbone interact. energy: 0.510 local terms energy: -483.283923 where: bonds (distance) C4'-P energy: -102.905 bonds (distance) P-C4' energy: -122.086 flat angles C4'-P-C4' energy: -110.044 flat angles P-C4'-P energy: -58.104 tors. eta vs tors. theta energy: -90.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2684.814117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.814117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.814117 (E_RNA) where: Base-Base interactions energy: -1906.095 where: short stacking energy: -764.417 Base-Backbone interact. energy: -2.652 local terms energy: -776.066515 where: bonds (distance) C4'-P energy: -144.146 bonds (distance) P-C4' energy: -140.466 flat angles C4'-P-C4' energy: -155.968 flat angles P-C4'-P energy: -106.739 tors. eta vs tors. theta energy: -228.748 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: 191 Temperature: 0.950000 Total energy: -2576.841531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.841531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.841531 (E_RNA) where: Base-Base interactions energy: -1825.470 where: short stacking energy: -750.635 Base-Backbone interact. energy: -2.978 local terms energy: -748.392960 where: bonds (distance) C4'-P energy: -132.261 bonds (distance) P-C4' energy: -139.931 flat angles C4'-P-C4' energy: -145.232 flat angles P-C4'-P energy: -103.171 tors. eta vs tors. theta energy: -227.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2484.374251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.374251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.374251 (E_RNA) where: Base-Base interactions energy: -1768.516 where: short stacking energy: -726.509 Base-Backbone interact. energy: -0.928 local terms energy: -714.930208 where: bonds (distance) C4'-P energy: -124.626 bonds (distance) P-C4' energy: -118.567 flat angles C4'-P-C4' energy: -158.215 flat angles P-C4'-P energy: -101.216 tors. eta vs tors. theta energy: -212.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2355.555579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.555579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.555579 (E_RNA) where: Base-Base interactions energy: -1688.471 where: short stacking energy: -709.995 Base-Backbone interact. energy: -2.263 local terms energy: -664.821035 where: bonds (distance) C4'-P energy: -117.291 bonds (distance) P-C4' energy: -110.941 flat angles C4'-P-C4' energy: -145.628 flat angles P-C4'-P energy: -93.434 tors. eta vs tors. theta energy: -197.527 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: 7 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2144.240208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.240208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.240208 (E_RNA) where: Base-Base interactions energy: -1483.707 where: short stacking energy: -631.213 Base-Backbone interact. energy: -2.551 local terms energy: -657.981866 where: bonds (distance) C4'-P energy: -119.629 bonds (distance) P-C4' energy: -111.464 flat angles C4'-P-C4' energy: -147.593 flat angles P-C4'-P energy: -89.572 tors. eta vs tors. theta energy: -189.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2170.328765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.328765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.328765 (E_RNA) where: Base-Base interactions energy: -1536.017 where: short stacking energy: -656.584 Base-Backbone interact. energy: -2.534 local terms energy: -631.777698 where: bonds (distance) C4'-P energy: -91.434 bonds (distance) P-C4' energy: -110.094 flat angles C4'-P-C4' energy: -144.943 flat angles P-C4'-P energy: -91.163 tors. eta vs tors. theta energy: -194.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1999.388937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.388937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.388937 (E_RNA) where: Base-Base interactions energy: -1397.212 where: short stacking energy: -623.729 Base-Backbone interact. energy: -0.261 local terms energy: -601.916017 where: bonds (distance) C4'-P energy: -117.914 bonds (distance) P-C4' energy: -97.079 flat angles C4'-P-C4' energy: -129.431 flat angles P-C4'-P energy: -81.677 tors. eta vs tors. theta energy: -175.815 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: 8, replica: 3 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1638.572826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.572826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.572826 (E_RNA) where: Base-Base interactions energy: -1117.930 where: short stacking energy: -447.416 Base-Backbone interact. energy: 3.405 local terms energy: -524.047577 where: bonds (distance) C4'-P energy: -89.139 bonds (distance) P-C4' energy: -130.302 flat angles C4'-P-C4' energy: -120.647 flat angles P-C4'-P energy: -71.643 tors. eta vs tors. theta energy: -112.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1463.059713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.059713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.059713 (E_RNA) where: Base-Base interactions energy: -987.711 where: short stacking energy: -424.834 Base-Backbone interact. energy: 4.684 local terms energy: -480.032456 where: bonds (distance) C4'-P energy: -111.776 bonds (distance) P-C4' energy: -112.811 flat angles C4'-P-C4' energy: -96.870 flat angles P-C4'-P energy: -66.103 tors. eta vs tors. theta energy: -92.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -1336.528068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.528068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.528068 (E_RNA) where: Base-Base interactions energy: -846.074 where: short stacking energy: -359.857 Base-Backbone interact. energy: -3.564 local terms energy: -486.889137 where: bonds (distance) C4'-P energy: -113.745 bonds (distance) P-C4' energy: -100.541 flat angles C4'-P-C4' energy: -132.809 flat angles P-C4'-P energy: -81.787 tors. eta vs tors. theta energy: -58.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2680.994149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.994149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.994149 (E_RNA) where: Base-Base interactions energy: -1916.906 where: short stacking energy: -775.189 Base-Backbone interact. energy: -4.422 local terms energy: -759.666022 where: bonds (distance) C4'-P energy: -125.167 bonds (distance) P-C4' energy: -138.655 flat angles C4'-P-C4' energy: -153.377 flat angles P-C4'-P energy: -117.319 tors. eta vs tors. theta energy: -225.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2519.431858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.431858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.431858 (E_RNA) where: Base-Base interactions energy: -1775.108 where: short stacking energy: -725.078 Base-Backbone interact. energy: -1.773 local terms energy: -742.550346 where: bonds (distance) C4'-P energy: -120.618 bonds (distance) P-C4' energy: -135.143 flat angles C4'-P-C4' energy: -149.655 flat angles P-C4'-P energy: -116.079 tors. eta vs tors. theta energy: -221.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2493.136395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.136395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.136395 (E_RNA) where: Base-Base interactions energy: -1758.519 where: short stacking energy: -725.097 Base-Backbone interact. energy: 0.386 local terms energy: -735.002726 where: bonds (distance) C4'-P energy: -120.854 bonds (distance) P-C4' energy: -126.772 flat angles C4'-P-C4' energy: -146.333 flat angles P-C4'-P energy: -110.322 tors. eta vs tors. theta energy: -230.722 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: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2352.922014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.922014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.922014 (E_RNA) where: Base-Base interactions energy: -1687.921 where: short stacking energy: -685.818 Base-Backbone interact. energy: -2.554 local terms energy: -662.447108 where: bonds (distance) C4'-P energy: -119.044 bonds (distance) P-C4' energy: -120.984 flat angles C4'-P-C4' energy: -140.888 flat angles P-C4'-P energy: -96.658 tors. eta vs tors. theta energy: -184.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2229.191178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.191178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.191178 (E_RNA) where: Base-Base interactions energy: -1564.057 where: short stacking energy: -664.898 Base-Backbone interact. energy: 4.507 local terms energy: -669.640708 where: bonds (distance) C4'-P energy: -106.359 bonds (distance) P-C4' energy: -126.247 flat angles C4'-P-C4' energy: -138.939 flat angles P-C4'-P energy: -88.685 tors. eta vs tors. theta energy: -209.412 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: 6, replica: 7 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2059.104502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.104502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.104502 (E_RNA) where: Base-Base interactions energy: -1427.569 where: short stacking energy: -615.703 Base-Backbone interact. energy: 0.566 local terms energy: -632.101618 where: bonds (distance) C4'-P energy: -113.129 bonds (distance) P-C4' energy: -118.396 flat angles C4'-P-C4' energy: -138.433 flat angles P-C4'-P energy: -92.508 tors. eta vs tors. theta energy: -169.636 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: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2080.081006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.081006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.081006 (E_RNA) where: Base-Base interactions energy: -1469.691 where: short stacking energy: -622.300 Base-Backbone interact. energy: -1.341 local terms energy: -609.049408 where: bonds (distance) C4'-P energy: -96.982 bonds (distance) P-C4' energy: -106.907 flat angles C4'-P-C4' energy: -140.133 flat angles P-C4'-P energy: -80.116 tors. eta vs tors. theta energy: -184.912 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: 8, replica: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1725.523124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.523124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.523124 (E_RNA) where: Base-Base interactions energy: -1198.951 where: short stacking energy: -504.986 Base-Backbone interact. energy: -1.020 local terms energy: -525.552134 where: bonds (distance) C4'-P energy: -97.086 bonds (distance) P-C4' energy: -96.256 flat angles C4'-P-C4' energy: -127.884 flat angles P-C4'-P energy: -92.848 tors. eta vs tors. theta energy: -111.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1455.677211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.677211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.677211 (E_RNA) where: Base-Base interactions energy: -996.444 where: short stacking energy: -414.002 Base-Backbone interact. energy: 2.110 local terms energy: -461.343315 where: bonds (distance) C4'-P energy: -84.268 bonds (distance) P-C4' energy: -125.134 flat angles C4'-P-C4' energy: -116.637 flat angles P-C4'-P energy: -52.135 tors. eta vs tors. theta energy: -83.169 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: 6 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -1279.411536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.411536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.411536 (E_RNA) where: Base-Base interactions energy: -868.277 where: short stacking energy: -365.033 Base-Backbone interact. energy: 6.749 local terms energy: -417.883187 where: bonds (distance) C4'-P energy: -95.145 bonds (distance) P-C4' energy: -97.639 flat angles C4'-P-C4' energy: -100.581 flat angles P-C4'-P energy: -60.786 tors. eta vs tors. theta energy: -63.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2670.184677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.184677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.184677 (E_RNA) where: Base-Base interactions energy: -1904.402 where: short stacking energy: -775.332 Base-Backbone interact. energy: -1.682 local terms energy: -764.100684 where: bonds (distance) C4'-P energy: -121.434 bonds (distance) P-C4' energy: -145.153 flat angles C4'-P-C4' energy: -158.385 flat angles P-C4'-P energy: -111.840 tors. eta vs tors. theta energy: -227.288 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: 1 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2558.529746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.529746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.529746 (E_RNA) where: Base-Base interactions energy: -1817.127 where: short stacking energy: -752.607 Base-Backbone interact. energy: -1.252 local terms energy: -740.150522 where: bonds (distance) C4'-P energy: -124.002 bonds (distance) P-C4' energy: -128.412 flat angles C4'-P-C4' energy: -160.536 flat angles P-C4'-P energy: -95.880 tors. eta vs tors. theta energy: -231.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2492.856634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.856634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.856634 (E_RNA) where: Base-Base interactions energy: -1752.348 where: short stacking energy: -709.992 Base-Backbone interact. energy: -2.120 local terms energy: -738.388662 where: bonds (distance) C4'-P energy: -126.923 bonds (distance) P-C4' energy: -137.377 flat angles C4'-P-C4' energy: -149.141 flat angles P-C4'-P energy: -107.121 tors. eta vs tors. theta energy: -217.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2381.973359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.973359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.973359 (E_RNA) where: Base-Base interactions energy: -1720.614 where: short stacking energy: -717.504 Base-Backbone interact. energy: -3.636 local terms energy: -657.723191 where: bonds (distance) C4'-P energy: -101.700 bonds (distance) P-C4' energy: -106.264 flat angles C4'-P-C4' energy: -148.502 flat angles P-C4'-P energy: -88.504 tors. eta vs tors. theta energy: -212.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2307.587159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.587159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.587159 (E_RNA) where: Base-Base interactions energy: -1633.339 where: short stacking energy: -680.184 Base-Backbone interact. energy: -1.310 local terms energy: -672.938219 where: bonds (distance) C4'-P energy: -119.609 bonds (distance) P-C4' energy: -118.302 flat angles C4'-P-C4' energy: -144.746 flat angles P-C4'-P energy: -89.865 tors. eta vs tors. theta energy: -200.416 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: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2111.445324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.445324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.445324 (E_RNA) where: Base-Base interactions energy: -1497.393 where: short stacking energy: -630.562 Base-Backbone interact. energy: 3.080 local terms energy: -617.132824 where: bonds (distance) C4'-P energy: -106.509 bonds (distance) P-C4' energy: -108.952 flat angles C4'-P-C4' energy: -133.543 flat angles P-C4'-P energy: -83.665 tors. eta vs tors. theta energy: -184.464 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: 7 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1979.444140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.444140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.444140 (E_RNA) where: Base-Base interactions energy: -1368.922 where: short stacking energy: -600.128 Base-Backbone interact. energy: -0.080 local terms energy: -610.441387 where: bonds (distance) C4'-P energy: -106.921 bonds (distance) P-C4' energy: -114.089 flat angles C4'-P-C4' energy: -136.274 flat angles P-C4'-P energy: -95.439 tors. eta vs tors. theta energy: -157.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1802.916172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.916172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.916172 (E_RNA) where: Base-Base interactions energy: -1259.825 where: short stacking energy: -522.660 Base-Backbone interact. energy: -3.551 local terms energy: -539.540074 where: bonds (distance) C4'-P energy: -97.470 bonds (distance) P-C4' energy: -120.226 flat angles C4'-P-C4' energy: -118.794 flat angles P-C4'-P energy: -56.894 tors. eta vs tors. theta energy: -146.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1445.594126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.594126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.594126 (E_RNA) where: Base-Base interactions energy: -950.409 where: short stacking energy: -434.745 Base-Backbone interact. energy: 3.917 local terms energy: -499.101697 where: bonds (distance) C4'-P energy: -110.487 bonds (distance) P-C4' energy: -126.405 flat angles C4'-P-C4' energy: -114.098 flat angles P-C4'-P energy: -60.460 tors. eta vs tors. theta energy: -87.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -1265.978643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.978643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.978643 (E_RNA) where: Base-Base interactions energy: -821.522 where: short stacking energy: -381.084 Base-Backbone interact. energy: -0.493 local terms energy: -443.963097 where: bonds (distance) C4'-P energy: -79.594 bonds (distance) P-C4' energy: -117.099 flat angles C4'-P-C4' energy: -109.569 flat angles P-C4'-P energy: -54.730 tors. eta vs tors. theta energy: -82.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2688.313550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.313550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.313550 (E_RNA) where: Base-Base interactions energy: -1904.259 where: short stacking energy: -771.078 Base-Backbone interact. energy: -2.182 local terms energy: -781.872503 where: bonds (distance) C4'-P energy: -133.047 bonds (distance) P-C4' energy: -129.657 flat angles C4'-P-C4' energy: -170.174 flat angles P-C4'-P energy: -124.113 tors. eta vs tors. theta energy: -224.881 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: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2572.031893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.031893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.031893 (E_RNA) where: Base-Base interactions energy: -1828.399 where: short stacking energy: -745.201 Base-Backbone interact. energy: 0.673 local terms energy: -744.306106 where: bonds (distance) C4'-P energy: -114.984 bonds (distance) P-C4' energy: -141.328 flat angles C4'-P-C4' energy: -151.626 flat angles P-C4'-P energy: -112.753 tors. eta vs tors. theta energy: -223.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2501.764736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.764736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.764736 (E_RNA) where: Base-Base interactions energy: -1773.982 where: short stacking energy: -739.810 Base-Backbone interact. energy: -1.144 local terms energy: -726.638429 where: bonds (distance) C4'-P energy: -123.414 bonds (distance) P-C4' energy: -118.498 flat angles C4'-P-C4' energy: -160.664 flat angles P-C4'-P energy: -103.142 tors. eta vs tors. theta energy: -220.921 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: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2393.903086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.903086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.903086 (E_RNA) where: Base-Base interactions energy: -1715.133 where: short stacking energy: -690.628 Base-Backbone interact. energy: -2.171 local terms energy: -676.598544 where: bonds (distance) C4'-P energy: -113.225 bonds (distance) P-C4' energy: -122.261 flat angles C4'-P-C4' energy: -144.202 flat angles P-C4'-P energy: -95.271 tors. eta vs tors. theta energy: -201.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2323.079414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.079414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.079414 (E_RNA) where: Base-Base interactions energy: -1655.075 where: short stacking energy: -693.061 Base-Backbone interact. energy: 0.357 local terms energy: -668.362081 where: bonds (distance) C4'-P energy: -117.511 bonds (distance) P-C4' energy: -107.506 flat angles C4'-P-C4' energy: -141.534 flat angles P-C4'-P energy: -94.511 tors. eta vs tors. theta energy: -207.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2161.089269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.089269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.089269 (E_RNA) where: Base-Base interactions energy: -1519.070 where: short stacking energy: -661.742 Base-Backbone interact. energy: -1.937 local terms energy: -640.082601 where: bonds (distance) C4'-P energy: -116.385 bonds (distance) P-C4' energy: -111.044 flat angles C4'-P-C4' energy: -135.114 flat angles P-C4'-P energy: -85.031 tors. eta vs tors. theta energy: -192.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -2000.404721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.404721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.404721 (E_RNA) where: Base-Base interactions energy: -1414.641 where: short stacking energy: -583.635 Base-Backbone interact. energy: -1.046 local terms energy: -584.717647 where: bonds (distance) C4'-P energy: -87.122 bonds (distance) P-C4' energy: -106.748 flat angles C4'-P-C4' energy: -134.558 flat angles P-C4'-P energy: -92.942 tors. eta vs tors. theta energy: -163.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1785.595779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.595779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.595779 (E_RNA) where: Base-Base interactions energy: -1214.532 where: short stacking energy: -503.742 Base-Backbone interact. energy: 3.149 local terms energy: -574.212973 where: bonds (distance) C4'-P energy: -115.611 bonds (distance) P-C4' energy: -128.641 flat angles C4'-P-C4' energy: -121.901 flat angles P-C4'-P energy: -76.766 tors. eta vs tors. theta energy: -131.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1461.862281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.862281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.862281 (E_RNA) where: Base-Base interactions energy: -967.855 where: short stacking energy: -433.760 Base-Backbone interact. energy: -1.559 local terms energy: -492.447768 where: bonds (distance) C4'-P energy: -109.269 bonds (distance) P-C4' energy: -118.347 flat angles C4'-P-C4' energy: -111.530 flat angles P-C4'-P energy: -69.696 tors. eta vs tors. theta energy: -83.605 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: 10, replica: 6 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -1215.643493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.643493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.643493 (E_RNA) where: Base-Base interactions energy: -741.236 where: short stacking energy: -376.445 Base-Backbone interact. energy: -2.074 local terms energy: -472.333757 where: bonds (distance) C4'-P energy: -102.944 bonds (distance) P-C4' energy: -131.474 flat angles C4'-P-C4' energy: -109.565 flat angles P-C4'-P energy: -59.500 tors. eta vs tors. theta energy: -68.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2659.171162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.171162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.171162 (E_RNA) where: Base-Base interactions energy: -1895.401 where: short stacking energy: -783.569 Base-Backbone interact. energy: -0.397 local terms energy: -763.372638 where: bonds (distance) C4'-P energy: -130.866 bonds (distance) P-C4' energy: -134.112 flat angles C4'-P-C4' energy: -155.567 flat angles P-C4'-P energy: -111.159 tors. eta vs tors. theta energy: -231.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2558.306339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.306339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.306339 (E_RNA) where: Base-Base interactions energy: -1808.702 where: short stacking energy: -738.305 Base-Backbone interact. energy: -1.553 local terms energy: -748.051241 where: bonds (distance) C4'-P energy: -136.064 bonds (distance) P-C4' energy: -139.551 flat angles C4'-P-C4' energy: -138.209 flat angles P-C4'-P energy: -111.791 tors. eta vs tors. theta energy: -222.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2461.539519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.539519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.539519 (E_RNA) where: Base-Base interactions energy: -1738.286 where: short stacking energy: -727.319 Base-Backbone interact. energy: -0.788 local terms energy: -722.466159 where: bonds (distance) C4'-P energy: -129.030 bonds (distance) P-C4' energy: -124.372 flat angles C4'-P-C4' energy: -145.182 flat angles P-C4'-P energy: -106.417 tors. eta vs tors. theta energy: -217.464 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: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2387.233100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.233100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.233100 (E_RNA) where: Base-Base interactions energy: -1713.401 where: short stacking energy: -689.316 Base-Backbone interact. energy: -3.419 local terms energy: -670.413543 where: bonds (distance) C4'-P energy: -125.400 bonds (distance) P-C4' energy: -121.231 flat angles C4'-P-C4' energy: -133.271 flat angles P-C4'-P energy: -100.389 tors. eta vs tors. theta energy: -190.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2259.411517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.411517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.411517 (E_RNA) where: Base-Base interactions energy: -1603.440 where: short stacking energy: -652.137 Base-Backbone interact. energy: -0.328 local terms energy: -655.643523 where: bonds (distance) C4'-P energy: -104.306 bonds (distance) P-C4' energy: -130.564 flat angles C4'-P-C4' energy: -146.858 flat angles P-C4'-P energy: -87.467 tors. eta vs tors. theta energy: -186.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2142.475791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.475791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.475791 (E_RNA) where: Base-Base interactions energy: -1510.169 where: short stacking energy: -653.733 Base-Backbone interact. energy: -0.635 local terms energy: -631.671714 where: bonds (distance) C4'-P energy: -107.003 bonds (distance) P-C4' energy: -113.796 flat angles C4'-P-C4' energy: -120.811 flat angles P-C4'-P energy: -89.444 tors. eta vs tors. theta energy: -200.617 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: 7 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1983.061139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.061139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.061139 (E_RNA) where: Base-Base interactions energy: -1383.775 where: short stacking energy: -600.270 Base-Backbone interact. energy: 3.304 local terms energy: -602.590325 where: bonds (distance) C4'-P energy: -113.085 bonds (distance) P-C4' energy: -95.669 flat angles C4'-P-C4' energy: -137.491 flat angles P-C4'-P energy: -85.179 tors. eta vs tors. theta energy: -171.167 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: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1773.374022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.374022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.374022 (E_RNA) where: Base-Base interactions energy: -1218.768 where: short stacking energy: -529.012 Base-Backbone interact. energy: -1.563 local terms energy: -553.042918 where: bonds (distance) C4'-P energy: -96.721 bonds (distance) P-C4' energy: -100.380 flat angles C4'-P-C4' energy: -119.086 flat angles P-C4'-P energy: -92.399 tors. eta vs tors. theta energy: -144.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1426.031276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.031276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.031276 (E_RNA) where: Base-Base interactions energy: -906.117 where: short stacking energy: -405.717 Base-Backbone interact. energy: 0.635 local terms energy: -520.549292 where: bonds (distance) C4'-P energy: -102.766 bonds (distance) P-C4' energy: -111.031 flat angles C4'-P-C4' energy: -125.492 flat angles P-C4'-P energy: -90.221 tors. eta vs tors. theta energy: -91.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1156.466405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.466405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.466405 (E_RNA) where: Base-Base interactions energy: -734.733 where: short stacking energy: -323.706 Base-Backbone interact. energy: -1.981 local terms energy: -419.752672 where: bonds (distance) C4'-P energy: -75.266 bonds (distance) P-C4' energy: -124.462 flat angles C4'-P-C4' energy: -106.670 flat angles P-C4'-P energy: -60.896 tors. eta vs tors. theta energy: -52.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2669.629676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.629676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.629676 (E_RNA) where: Base-Base interactions energy: -1917.826 where: short stacking energy: -784.307 Base-Backbone interact. energy: -2.493 local terms energy: -749.310467 where: bonds (distance) C4'-P energy: -140.462 bonds (distance) P-C4' energy: -115.621 flat angles C4'-P-C4' energy: -158.091 flat angles P-C4'-P energy: -106.890 tors. eta vs tors. theta energy: -228.246 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: 1 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2569.064705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.064705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.064705 (E_RNA) where: Base-Base interactions energy: -1825.726 where: short stacking energy: -750.725 Base-Backbone interact. energy: -2.103 local terms energy: -741.234753 where: bonds (distance) C4'-P energy: -125.173 bonds (distance) P-C4' energy: -134.011 flat angles C4'-P-C4' energy: -152.095 flat angles P-C4'-P energy: -104.070 tors. eta vs tors. theta energy: -225.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2488.099087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.099087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.099087 (E_RNA) where: Base-Base interactions energy: -1760.584 where: short stacking energy: -742.002 Base-Backbone interact. energy: 2.015 local terms energy: -729.529904 where: bonds (distance) C4'-P energy: -116.749 bonds (distance) P-C4' energy: -123.695 flat angles C4'-P-C4' energy: -148.069 flat angles P-C4'-P energy: -114.964 tors. eta vs tors. theta energy: -226.052 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: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2322.178810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.178810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.178810 (E_RNA) where: Base-Base interactions energy: -1652.622 where: short stacking energy: -647.837 Base-Backbone interact. energy: -1.857 local terms energy: -667.699878 where: bonds (distance) C4'-P energy: -124.572 bonds (distance) P-C4' energy: -122.904 flat angles C4'-P-C4' energy: -129.430 flat angles P-C4'-P energy: -104.089 tors. eta vs tors. theta energy: -186.704 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: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2235.778864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.778864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.778864 (E_RNA) where: Base-Base interactions energy: -1550.522 where: short stacking energy: -634.745 Base-Backbone interact. energy: -0.568 local terms energy: -684.689331 where: bonds (distance) C4'-P energy: -131.679 bonds (distance) P-C4' energy: -127.896 flat angles C4'-P-C4' energy: -145.189 flat angles P-C4'-P energy: -87.407 tors. eta vs tors. theta energy: -192.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2107.969560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.969560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.969560 (E_RNA) where: Base-Base interactions energy: -1432.681 where: short stacking energy: -622.384 Base-Backbone interact. energy: -0.483 local terms energy: -674.805143 where: bonds (distance) C4'-P energy: -129.564 bonds (distance) P-C4' energy: -112.866 flat angles C4'-P-C4' energy: -158.087 flat angles P-C4'-P energy: -96.618 tors. eta vs tors. theta energy: -177.671 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: 7 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1890.086229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.086229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.086229 (E_RNA) where: Base-Base interactions energy: -1334.882 where: short stacking energy: -553.573 Base-Backbone interact. energy: 0.301 local terms energy: -555.505853 where: bonds (distance) C4'-P energy: -119.256 bonds (distance) P-C4' energy: -97.301 flat angles C4'-P-C4' energy: -118.954 flat angles P-C4'-P energy: -73.948 tors. eta vs tors. theta energy: -146.047 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: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1764.256285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.256285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.256285 (E_RNA) where: Base-Base interactions energy: -1209.886 where: short stacking energy: -501.513 Base-Backbone interact. energy: -2.044 local terms energy: -552.326555 where: bonds (distance) C4'-P energy: -104.620 bonds (distance) P-C4' energy: -121.513 flat angles C4'-P-C4' energy: -127.554 flat angles P-C4'-P energy: -74.951 tors. eta vs tors. theta energy: -123.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1382.341473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.341473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.341473 (E_RNA) where: Base-Base interactions energy: -892.403 where: short stacking energy: -389.790 Base-Backbone interact. energy: -3.768 local terms energy: -486.170351 where: bonds (distance) C4'-P energy: -106.785 bonds (distance) P-C4' energy: -99.220 flat angles C4'-P-C4' energy: -127.113 flat angles P-C4'-P energy: -67.763 tors. eta vs tors. theta energy: -85.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -1148.800961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.800961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.800961 (E_RNA) where: Base-Base interactions energy: -737.328 where: short stacking energy: -341.046 Base-Backbone interact. energy: -0.219 local terms energy: -411.254357 where: bonds (distance) C4'-P energy: -103.430 bonds (distance) P-C4' energy: -86.416 flat angles C4'-P-C4' energy: -102.234 flat angles P-C4'-P energy: -76.055 tors. eta vs tors. theta energy: -43.119 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: 1, replica: 10 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2673.582107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.582107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.582107 (E_RNA) where: Base-Base interactions energy: -1905.718 where: short stacking energy: -784.118 Base-Backbone interact. energy: -4.170 local terms energy: -763.694262 where: bonds (distance) C4'-P energy: -130.985 bonds (distance) P-C4' energy: -136.106 flat angles C4'-P-C4' energy: -161.666 flat angles P-C4'-P energy: -114.617 tors. eta vs tors. theta energy: -220.320 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: 197 Temperature: 0.950000 Total energy: -2580.223142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.223142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.223142 (E_RNA) where: Base-Base interactions energy: -1832.700 where: short stacking energy: -762.806 Base-Backbone interact. energy: 0.083 local terms energy: -747.606386 where: bonds (distance) C4'-P energy: -134.275 bonds (distance) P-C4' energy: -130.359 flat angles C4'-P-C4' energy: -151.715 flat angles P-C4'-P energy: -105.570 tors. eta vs tors. theta energy: -225.687 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: 3, replica: 9 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2467.945117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.945117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.945117 (E_RNA) where: Base-Base interactions energy: -1747.039 where: short stacking energy: -725.213 Base-Backbone interact. energy: -1.558 local terms energy: -719.347690 where: bonds (distance) C4'-P energy: -121.718 bonds (distance) P-C4' energy: -128.006 flat angles C4'-P-C4' energy: -143.652 flat angles P-C4'-P energy: -99.662 tors. eta vs tors. theta energy: -226.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2430.527964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.527964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.527964 (E_RNA) where: Base-Base interactions energy: -1696.958 where: short stacking energy: -697.319 Base-Backbone interact. energy: -1.260 local terms energy: -732.310068 where: bonds (distance) C4'-P energy: -126.403 bonds (distance) P-C4' energy: -137.970 flat angles C4'-P-C4' energy: -149.513 flat angles P-C4'-P energy: -111.441 tors. eta vs tors. theta energy: -206.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2278.055775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.055775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.055775 (E_RNA) where: Base-Base interactions energy: -1608.777 where: short stacking energy: -668.903 Base-Backbone interact. energy: -1.432 local terms energy: -667.846440 where: bonds (distance) C4'-P energy: -109.707 bonds (distance) P-C4' energy: -111.139 flat angles C4'-P-C4' energy: -144.256 flat angles P-C4'-P energy: -93.123 tors. eta vs tors. theta energy: -209.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2151.073480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.073480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.073480 (E_RNA) where: Base-Base interactions energy: -1508.216 where: short stacking energy: -630.655 Base-Backbone interact. energy: 1.357 local terms energy: -644.214447 where: bonds (distance) C4'-P energy: -120.987 bonds (distance) P-C4' energy: -104.638 flat angles C4'-P-C4' energy: -137.116 flat angles P-C4'-P energy: -89.792 tors. eta vs tors. theta energy: -191.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1884.309514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.309514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.309514 (E_RNA) where: Base-Base interactions energy: -1312.549 where: short stacking energy: -529.139 Base-Backbone interact. energy: 6.166 local terms energy: -577.926815 where: bonds (distance) C4'-P energy: -120.145 bonds (distance) P-C4' energy: -103.353 flat angles C4'-P-C4' energy: -127.213 flat angles P-C4'-P energy: -86.072 tors. eta vs tors. theta energy: -141.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1687.599390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.599390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.599390 (E_RNA) where: Base-Base interactions energy: -1168.579 where: short stacking energy: -488.798 Base-Backbone interact. energy: 2.018 local terms energy: -521.037786 where: bonds (distance) C4'-P energy: -122.217 bonds (distance) P-C4' energy: -106.842 flat angles C4'-P-C4' energy: -125.526 flat angles P-C4'-P energy: -53.346 tors. eta vs tors. theta energy: -113.107 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: 4 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1433.932082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.932082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.932082 (E_RNA) where: Base-Base interactions energy: -945.214 where: short stacking energy: -428.792 Base-Backbone interact. energy: 1.467 local terms energy: -490.185116 where: bonds (distance) C4'-P energy: -100.572 bonds (distance) P-C4' energy: -106.199 flat angles C4'-P-C4' energy: -130.730 flat angles P-C4'-P energy: -69.105 tors. eta vs tors. theta energy: -83.579 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: 6 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1123.293487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.293487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.293487 (E_RNA) where: Base-Base interactions energy: -691.941 where: short stacking energy: -329.426 Base-Backbone interact. energy: -3.735 local terms energy: -427.617791 where: bonds (distance) C4'-P energy: -89.925 bonds (distance) P-C4' energy: -101.845 flat angles C4'-P-C4' energy: -110.648 flat angles P-C4'-P energy: -70.566 tors. eta vs tors. theta energy: -54.635 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: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2682.179049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.179049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.179049 (E_RNA) where: Base-Base interactions energy: -1929.559 where: short stacking energy: -781.434 Base-Backbone interact. energy: -0.355 local terms energy: -752.265145 where: bonds (distance) C4'-P energy: -132.059 bonds (distance) P-C4' energy: -125.175 flat angles C4'-P-C4' energy: -154.581 flat angles P-C4'-P energy: -107.279 tors. eta vs tors. theta energy: -233.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2595.413103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.413103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.413103 (E_RNA) where: Base-Base interactions energy: -1843.061 where: short stacking energy: -751.204 Base-Backbone interact. energy: -4.126 local terms energy: -748.225550 where: bonds (distance) C4'-P energy: -134.771 bonds (distance) P-C4' energy: -133.202 flat angles C4'-P-C4' energy: -150.620 flat angles P-C4'-P energy: -98.874 tors. eta vs tors. theta energy: -230.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2484.285396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.285396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.285396 (E_RNA) where: Base-Base interactions energy: -1727.124 where: short stacking energy: -732.105 Base-Backbone interact. energy: 0.429 local terms energy: -757.590367 where: bonds (distance) C4'-P energy: -136.395 bonds (distance) P-C4' energy: -138.322 flat angles C4'-P-C4' energy: -155.875 flat angles P-C4'-P energy: -103.637 tors. eta vs tors. theta energy: -223.361 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: 4, replica: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2471.748112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.748112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.748112 (E_RNA) where: Base-Base interactions energy: -1777.138 where: short stacking energy: -717.443 Base-Backbone interact. energy: -1.927 local terms energy: -692.683654 where: bonds (distance) C4'-P energy: -128.571 bonds (distance) P-C4' energy: -110.994 flat angles C4'-P-C4' energy: -140.633 flat angles P-C4'-P energy: -91.001 tors. eta vs tors. theta energy: -221.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2332.370961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.370961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.370961 (E_RNA) where: Base-Base interactions energy: -1646.940 where: short stacking energy: -684.731 Base-Backbone interact. energy: -0.551 local terms energy: -684.879663 where: bonds (distance) C4'-P energy: -110.357 bonds (distance) P-C4' energy: -118.231 flat angles C4'-P-C4' energy: -155.616 flat angles P-C4'-P energy: -91.750 tors. eta vs tors. theta energy: -208.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2127.569778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.569778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.569778 (E_RNA) where: Base-Base interactions energy: -1468.784 where: short stacking energy: -604.865 Base-Backbone interact. energy: 1.986 local terms energy: -660.771041 where: bonds (distance) C4'-P energy: -116.352 bonds (distance) P-C4' energy: -125.297 flat angles C4'-P-C4' energy: -144.216 flat angles P-C4'-P energy: -86.021 tors. eta vs tors. theta energy: -188.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1892.537296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.537296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.537296 (E_RNA) where: Base-Base interactions energy: -1323.464 where: short stacking energy: -541.949 Base-Backbone interact. energy: 2.932 local terms energy: -572.004891 where: bonds (distance) C4'-P energy: -110.845 bonds (distance) P-C4' energy: -111.013 flat angles C4'-P-C4' energy: -136.522 flat angles P-C4'-P energy: -69.829 tors. eta vs tors. theta energy: -143.796 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: 3 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1685.196969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.196969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.196969 (E_RNA) where: Base-Base interactions energy: -1166.096 where: short stacking energy: -462.865 Base-Backbone interact. energy: 1.334 local terms energy: -520.434677 where: bonds (distance) C4'-P energy: -120.462 bonds (distance) P-C4' energy: -101.314 flat angles C4'-P-C4' energy: -106.384 flat angles P-C4'-P energy: -57.413 tors. eta vs tors. theta energy: -134.860 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: 4 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1459.605490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.605490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.605490 (E_RNA) where: Base-Base interactions energy: -993.528 where: short stacking energy: -409.258 Base-Backbone interact. energy: 1.101 local terms energy: -467.178324 where: bonds (distance) C4'-P energy: -102.416 bonds (distance) P-C4' energy: -105.504 flat angles C4'-P-C4' energy: -103.172 flat angles P-C4'-P energy: -66.490 tors. eta vs tors. theta energy: -89.596 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: 6 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1161.163517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.163517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.163517 (E_RNA) where: Base-Base interactions energy: -729.438 where: short stacking energy: -328.643 Base-Backbone interact. energy: -0.601 local terms energy: -431.124556 where: bonds (distance) C4'-P energy: -122.991 bonds (distance) P-C4' energy: -92.922 flat angles C4'-P-C4' energy: -99.676 flat angles P-C4'-P energy: -69.604 tors. eta vs tors. theta energy: -45.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2714.989195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.989195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.989195 (E_RNA) where: Base-Base interactions energy: -1921.608 where: short stacking energy: -769.188 Base-Backbone interact. energy: -4.171 local terms energy: -789.211088 where: bonds (distance) C4'-P energy: -137.397 bonds (distance) P-C4' energy: -138.842 flat angles C4'-P-C4' energy: -163.189 flat angles P-C4'-P energy: -115.623 tors. eta vs tors. theta energy: -234.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2583.653213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.653213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.653213 (E_RNA) where: Base-Base interactions energy: -1832.700 where: short stacking energy: -742.995 Base-Backbone interact. energy: -3.820 local terms energy: -747.133496 where: bonds (distance) C4'-P energy: -130.448 bonds (distance) P-C4' energy: -127.583 flat angles C4'-P-C4' energy: -150.107 flat angles P-C4'-P energy: -105.393 tors. eta vs tors. theta energy: -233.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2476.413583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.413583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.413583 (E_RNA) where: Base-Base interactions energy: -1741.120 where: short stacking energy: -724.254 Base-Backbone interact. energy: -1.279 local terms energy: -734.014572 where: bonds (distance) C4'-P energy: -122.452 bonds (distance) P-C4' energy: -125.003 flat angles C4'-P-C4' energy: -153.580 flat angles P-C4'-P energy: -107.024 tors. eta vs tors. theta energy: -225.956 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: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2456.428886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.428886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.428886 (E_RNA) where: Base-Base interactions energy: -1766.498 where: short stacking energy: -710.110 Base-Backbone interact. energy: 0.586 local terms energy: -690.517119 where: bonds (distance) C4'-P energy: -119.820 bonds (distance) P-C4' energy: -119.653 flat angles C4'-P-C4' energy: -141.118 flat angles P-C4'-P energy: -92.036 tors. eta vs tors. theta energy: -217.889 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: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2260.550377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.550377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.550377 (E_RNA) where: Base-Base interactions energy: -1598.626 where: short stacking energy: -660.297 Base-Backbone interact. energy: -0.553 local terms energy: -661.371729 where: bonds (distance) C4'-P energy: -128.212 bonds (distance) P-C4' energy: -125.185 flat angles C4'-P-C4' energy: -130.106 flat angles P-C4'-P energy: -88.216 tors. eta vs tors. theta energy: -189.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2135.380994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.380994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.380994 (E_RNA) where: Base-Base interactions energy: -1473.216 where: short stacking energy: -638.518 Base-Backbone interact. energy: -1.433 local terms energy: -660.732096 where: bonds (distance) C4'-P energy: -117.075 bonds (distance) P-C4' energy: -122.740 flat angles C4'-P-C4' energy: -135.015 flat angles P-C4'-P energy: -95.878 tors. eta vs tors. theta energy: -190.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1963.209640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.209640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.209640 (E_RNA) where: Base-Base interactions energy: -1379.077 where: short stacking energy: -560.320 Base-Backbone interact. energy: -0.153 local terms energy: -583.979358 where: bonds (distance) C4'-P energy: -114.824 bonds (distance) P-C4' energy: -114.965 flat angles C4'-P-C4' energy: -139.385 flat angles P-C4'-P energy: -62.302 tors. eta vs tors. theta energy: -152.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1631.857376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.857376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.857376 (E_RNA) where: Base-Base interactions energy: -1096.484 where: short stacking energy: -476.860 Base-Backbone interact. energy: -4.761 local terms energy: -530.612686 where: bonds (distance) C4'-P energy: -102.045 bonds (distance) P-C4' energy: -115.032 flat angles C4'-P-C4' energy: -121.239 flat angles P-C4'-P energy: -76.064 tors. eta vs tors. theta energy: -116.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1495.114500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.114500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.114500 (E_RNA) where: Base-Base interactions energy: -1017.032 where: short stacking energy: -427.064 Base-Backbone interact. energy: 0.125 local terms energy: -478.207440 where: bonds (distance) C4'-P energy: -117.438 bonds (distance) P-C4' energy: -96.629 flat angles C4'-P-C4' energy: -106.863 flat angles P-C4'-P energy: -62.102 tors. eta vs tors. theta energy: -95.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1090.302219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.302219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.302219 (E_RNA) where: Base-Base interactions energy: -656.482 where: short stacking energy: -295.478 Base-Backbone interact. energy: 1.675 local terms energy: -435.494661 where: bonds (distance) C4'-P energy: -102.271 bonds (distance) P-C4' energy: -102.195 flat angles C4'-P-C4' energy: -111.417 flat angles P-C4'-P energy: -74.774 tors. eta vs tors. theta energy: -44.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2668.658891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.658891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.658891 (E_RNA) where: Base-Base interactions energy: -1880.464 where: short stacking energy: -775.020 Base-Backbone interact. energy: -2.842 local terms energy: -785.353302 where: bonds (distance) C4'-P energy: -128.476 bonds (distance) P-C4' energy: -145.671 flat angles C4'-P-C4' energy: -161.423 flat angles P-C4'-P energy: -117.516 tors. eta vs tors. theta energy: -232.267 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: 2, replica: 1 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2583.962349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.962349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.962349 (E_RNA) where: Base-Base interactions energy: -1849.834 where: short stacking energy: -750.010 Base-Backbone interact. energy: 0.406 local terms energy: -734.534029 where: bonds (distance) C4'-P energy: -111.264 bonds (distance) P-C4' energy: -133.316 flat angles C4'-P-C4' energy: -153.441 flat angles P-C4'-P energy: -105.765 tors. eta vs tors. theta energy: -230.748 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: 9 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2464.455293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.455293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.455293 (E_RNA) where: Base-Base interactions energy: -1727.138 where: short stacking energy: -710.038 Base-Backbone interact. energy: -3.056 local terms energy: -734.261223 where: bonds (distance) C4'-P energy: -134.809 bonds (distance) P-C4' energy: -122.973 flat angles C4'-P-C4' energy: -154.030 flat angles P-C4'-P energy: -95.185 tors. eta vs tors. theta energy: -227.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2434.668304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.668304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.668304 (E_RNA) where: Base-Base interactions energy: -1715.912 where: short stacking energy: -701.989 Base-Backbone interact. energy: -1.057 local terms energy: -717.699308 where: bonds (distance) C4'-P energy: -126.197 bonds (distance) P-C4' energy: -131.345 flat angles C4'-P-C4' energy: -162.508 flat angles P-C4'-P energy: -92.959 tors. eta vs tors. theta energy: -204.691 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: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2259.152457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.152457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.152457 (E_RNA) where: Base-Base interactions energy: -1600.922 where: short stacking energy: -639.299 Base-Backbone interact. energy: -3.234 local terms energy: -654.996638 where: bonds (distance) C4'-P energy: -101.665 bonds (distance) P-C4' energy: -129.041 flat angles C4'-P-C4' energy: -143.930 flat angles P-C4'-P energy: -83.412 tors. eta vs tors. theta energy: -196.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2117.528570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.528570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.528570 (E_RNA) where: Base-Base interactions energy: -1461.196 where: short stacking energy: -638.772 Base-Backbone interact. energy: 3.968 local terms energy: -660.300399 where: bonds (distance) C4'-P energy: -112.928 bonds (distance) P-C4' energy: -133.898 flat angles C4'-P-C4' energy: -135.193 flat angles P-C4'-P energy: -84.842 tors. eta vs tors. theta energy: -193.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1920.665663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.665663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.665663 (E_RNA) where: Base-Base interactions energy: -1342.637 where: short stacking energy: -554.385 Base-Backbone interact. energy: -2.890 local terms energy: -575.138805 where: bonds (distance) C4'-P energy: -101.728 bonds (distance) P-C4' energy: -113.974 flat angles C4'-P-C4' energy: -126.530 flat angles P-C4'-P energy: -77.562 tors. eta vs tors. theta energy: -155.345 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: 3 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1601.259126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.259126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.259126 (E_RNA) where: Base-Base interactions energy: -1083.457 where: short stacking energy: -460.671 Base-Backbone interact. energy: -1.677 local terms energy: -516.124994 where: bonds (distance) C4'-P energy: -105.805 bonds (distance) P-C4' energy: -109.386 flat angles C4'-P-C4' energy: -132.432 flat angles P-C4'-P energy: -72.661 tors. eta vs tors. theta energy: -95.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1519.756824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.756824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.756824 (E_RNA) where: Base-Base interactions energy: -1013.467 where: short stacking energy: -408.305 Base-Backbone interact. energy: -1.820 local terms energy: -504.470330 where: bonds (distance) C4'-P energy: -96.452 bonds (distance) P-C4' energy: -112.550 flat angles C4'-P-C4' energy: -117.963 flat angles P-C4'-P energy: -78.155 tors. eta vs tors. theta energy: -99.350 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: 6 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1068.092828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.092828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.092828 (E_RNA) where: Base-Base interactions energy: -649.854 where: short stacking energy: -297.643 Base-Backbone interact. energy: -0.631 local terms energy: -417.608101 where: bonds (distance) C4'-P energy: -114.622 bonds (distance) P-C4' energy: -112.035 flat angles C4'-P-C4' energy: -121.899 flat angles P-C4'-P energy: -46.590 tors. eta vs tors. theta energy: -22.461 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: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2661.180377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.180377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.180377 (E_RNA) where: Base-Base interactions energy: -1907.728 where: short stacking energy: -794.414 Base-Backbone interact. energy: -4.081 local terms energy: -749.371459 where: bonds (distance) C4'-P energy: -127.646 bonds (distance) P-C4' energy: -120.149 flat angles C4'-P-C4' energy: -153.974 flat angles P-C4'-P energy: -107.461 tors. eta vs tors. theta energy: -240.141 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: 1 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2580.198765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.198765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.198765 (E_RNA) where: Base-Base interactions energy: -1845.754 where: short stacking energy: -743.827 Base-Backbone interact. energy: 0.440 local terms energy: -734.884942 where: bonds (distance) C4'-P energy: -123.225 bonds (distance) P-C4' energy: -133.917 flat angles C4'-P-C4' energy: -151.893 flat angles P-C4'-P energy: -100.155 tors. eta vs tors. theta energy: -225.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2493.673257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.673257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.673257 (E_RNA) where: Base-Base interactions energy: -1754.604 where: short stacking energy: -722.982 Base-Backbone interact. energy: -0.457 local terms energy: -738.613048 where: bonds (distance) C4'-P energy: -126.449 bonds (distance) P-C4' energy: -118.252 flat angles C4'-P-C4' energy: -156.946 flat angles P-C4'-P energy: -110.171 tors. eta vs tors. theta energy: -226.794 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: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2485.512851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.512851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.512851 (E_RNA) where: Base-Base interactions energy: -1784.258 where: short stacking energy: -720.598 Base-Backbone interact. energy: -0.585 local terms energy: -700.670551 where: bonds (distance) C4'-P energy: -117.412 bonds (distance) P-C4' energy: -117.786 flat angles C4'-P-C4' energy: -146.172 flat angles P-C4'-P energy: -101.585 tors. eta vs tors. theta energy: -217.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2266.513467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.513467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.513467 (E_RNA) where: Base-Base interactions energy: -1596.626 where: short stacking energy: -651.393 Base-Backbone interact. energy: -0.903 local terms energy: -668.984464 where: bonds (distance) C4'-P energy: -114.115 bonds (distance) P-C4' energy: -130.940 flat angles C4'-P-C4' energy: -147.734 flat angles P-C4'-P energy: -89.735 tors. eta vs tors. theta energy: -186.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2055.678451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.678451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.678451 (E_RNA) where: Base-Base interactions energy: -1410.929 where: short stacking energy: -604.969 Base-Backbone interact. energy: -3.525 local terms energy: -641.223731 where: bonds (distance) C4'-P energy: -106.840 bonds (distance) P-C4' energy: -122.364 flat angles C4'-P-C4' energy: -137.124 flat angles P-C4'-P energy: -87.728 tors. eta vs tors. theta energy: -187.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1915.979667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.979667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.979667 (E_RNA) where: Base-Base interactions energy: -1354.227 where: short stacking energy: -559.631 Base-Backbone interact. energy: -6.175 local terms energy: -555.577158 where: bonds (distance) C4'-P energy: -111.179 bonds (distance) P-C4' energy: -94.928 flat angles C4'-P-C4' energy: -127.398 flat angles P-C4'-P energy: -66.293 tors. eta vs tors. theta energy: -155.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1720.912952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.912952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.912952 (E_RNA) where: Base-Base interactions energy: -1199.707 where: short stacking energy: -499.794 Base-Backbone interact. energy: 1.064 local terms energy: -522.269226 where: bonds (distance) C4'-P energy: -84.331 bonds (distance) P-C4' energy: -115.701 flat angles C4'-P-C4' energy: -119.179 flat angles P-C4'-P energy: -80.102 tors. eta vs tors. theta energy: -122.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1600.139417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.139417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.139417 (E_RNA) where: Base-Base interactions energy: -1059.376 where: short stacking energy: -451.872 Base-Backbone interact. energy: 2.409 local terms energy: -543.172395 where: bonds (distance) C4'-P energy: -101.993 bonds (distance) P-C4' energy: -130.116 flat angles C4'-P-C4' energy: -121.432 flat angles P-C4'-P energy: -76.359 tors. eta vs tors. theta energy: -113.273 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: 6 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1063.696074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.696074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.696074 (E_RNA) where: Base-Base interactions energy: -674.193 where: short stacking energy: -305.451 Base-Backbone interact. energy: 2.385 local terms energy: -391.888856 where: bonds (distance) C4'-P energy: -106.919 bonds (distance) P-C4' energy: -88.885 flat angles C4'-P-C4' energy: -100.197 flat angles P-C4'-P energy: -63.830 tors. eta vs tors. theta energy: -32.059 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: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2649.861230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.861230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.861230 (E_RNA) where: Base-Base interactions energy: -1889.012 where: short stacking energy: -772.160 Base-Backbone interact. energy: -5.024 local terms energy: -755.825044 where: bonds (distance) C4'-P energy: -132.591 bonds (distance) P-C4' energy: -129.867 flat angles C4'-P-C4' energy: -144.078 flat angles P-C4'-P energy: -112.355 tors. eta vs tors. theta energy: -236.935 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: 202 Temperature: 0.950000 Total energy: -2573.892287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.892287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.892287 (E_RNA) where: Base-Base interactions energy: -1827.967 where: short stacking energy: -767.697 Base-Backbone interact. energy: -1.091 local terms energy: -744.835155 where: bonds (distance) C4'-P energy: -130.834 bonds (distance) P-C4' energy: -129.965 flat angles C4'-P-C4' energy: -146.397 flat angles P-C4'-P energy: -101.997 tors. eta vs tors. theta energy: -235.641 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: 9 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2489.638915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.638915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.638915 (E_RNA) where: Base-Base interactions energy: -1772.470 where: short stacking energy: -712.406 Base-Backbone interact. energy: -2.372 local terms energy: -714.797143 where: bonds (distance) C4'-P energy: -113.779 bonds (distance) P-C4' energy: -128.482 flat angles C4'-P-C4' energy: -158.381 flat angles P-C4'-P energy: -99.255 tors. eta vs tors. theta energy: -214.900 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: 4, replica: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2500.952168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.952168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.952168 (E_RNA) where: Base-Base interactions energy: -1780.983 where: short stacking energy: -721.962 Base-Backbone interact. energy: 0.586 local terms energy: -720.555054 where: bonds (distance) C4'-P energy: -129.226 bonds (distance) P-C4' energy: -125.738 flat angles C4'-P-C4' energy: -150.676 flat angles P-C4'-P energy: -88.571 tors. eta vs tors. theta energy: -226.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2263.732016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.732016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.732016 (E_RNA) where: Base-Base interactions energy: -1608.848 where: short stacking energy: -657.868 Base-Backbone interact. energy: -2.353 local terms energy: -652.531310 where: bonds (distance) C4'-P energy: -102.359 bonds (distance) P-C4' energy: -119.846 flat angles C4'-P-C4' energy: -140.656 flat angles P-C4'-P energy: -97.796 tors. eta vs tors. theta energy: -191.874 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: 5 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2061.917923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.917923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.917923 (E_RNA) where: Base-Base interactions energy: -1420.592 where: short stacking energy: -619.503 Base-Backbone interact. energy: -0.656 local terms energy: -640.669723 where: bonds (distance) C4'-P energy: -113.975 bonds (distance) P-C4' energy: -104.394 flat angles C4'-P-C4' energy: -139.251 flat angles P-C4'-P energy: -102.802 tors. eta vs tors. theta energy: -180.248 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: 7 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1908.187177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.187177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.187177 (E_RNA) where: Base-Base interactions energy: -1314.020 where: short stacking energy: -545.362 Base-Backbone interact. energy: -0.111 local terms energy: -594.056678 where: bonds (distance) C4'-P energy: -119.949 bonds (distance) P-C4' energy: -108.289 flat angles C4'-P-C4' energy: -131.901 flat angles P-C4'-P energy: -82.962 tors. eta vs tors. theta energy: -150.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1730.462294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.462294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.462294 (E_RNA) where: Base-Base interactions energy: -1179.131 where: short stacking energy: -495.605 Base-Backbone interact. energy: 1.286 local terms energy: -552.617631 where: bonds (distance) C4'-P energy: -127.523 bonds (distance) P-C4' energy: -98.889 flat angles C4'-P-C4' energy: -122.781 flat angles P-C4'-P energy: -78.044 tors. eta vs tors. theta energy: -125.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1572.810687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.810687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.810687 (E_RNA) where: Base-Base interactions energy: -1077.609 where: short stacking energy: -479.858 Base-Backbone interact. energy: -0.703 local terms energy: -494.499007 where: bonds (distance) C4'-P energy: -109.781 bonds (distance) P-C4' energy: -111.079 flat angles C4'-P-C4' energy: -96.109 flat angles P-C4'-P energy: -75.084 tors. eta vs tors. theta energy: -102.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1083.548855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.548855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.548855 (E_RNA) where: Base-Base interactions energy: -647.167 where: short stacking energy: -293.591 Base-Backbone interact. energy: -0.306 local terms energy: -436.075648 where: bonds (distance) C4'-P energy: -88.848 bonds (distance) P-C4' energy: -117.384 flat angles C4'-P-C4' energy: -95.820 flat angles P-C4'-P energy: -71.418 tors. eta vs tors. theta energy: -62.605 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: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2641.034171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.034171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.034171 (E_RNA) where: Base-Base interactions energy: -1862.015 where: short stacking energy: -749.453 Base-Backbone interact. energy: -1.021 local terms energy: -777.997697 where: bonds (distance) C4'-P energy: -140.933 bonds (distance) P-C4' energy: -145.044 flat angles C4'-P-C4' energy: -148.952 flat angles P-C4'-P energy: -110.079 tors. eta vs tors. theta energy: -232.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2583.514138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.514138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.514138 (E_RNA) where: Base-Base interactions energy: -1854.777 where: short stacking energy: -768.970 Base-Backbone interact. energy: -1.494 local terms energy: -727.243047 where: bonds (distance) C4'-P energy: -112.222 bonds (distance) P-C4' energy: -141.415 flat angles C4'-P-C4' energy: -151.661 flat angles P-C4'-P energy: -94.808 tors. eta vs tors. theta energy: -227.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2492.351218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.351218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.351218 (E_RNA) where: Base-Base interactions energy: -1751.578 where: short stacking energy: -723.880 Base-Backbone interact. energy: -0.127 local terms energy: -740.646429 where: bonds (distance) C4'-P energy: -123.645 bonds (distance) P-C4' energy: -132.633 flat angles C4'-P-C4' energy: -159.487 flat angles P-C4'-P energy: -101.798 tors. eta vs tors. theta energy: -223.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2470.830206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.830206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.830206 (E_RNA) where: Base-Base interactions energy: -1763.347 where: short stacking energy: -694.461 Base-Backbone interact. energy: -2.278 local terms energy: -705.205442 where: bonds (distance) C4'-P energy: -122.718 bonds (distance) P-C4' energy: -119.015 flat angles C4'-P-C4' energy: -150.572 flat angles P-C4'-P energy: -100.086 tors. eta vs tors. theta energy: -212.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2299.290807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.290807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.290807 (E_RNA) where: Base-Base interactions energy: -1633.812 where: short stacking energy: -678.737 Base-Backbone interact. energy: -1.682 local terms energy: -663.797230 where: bonds (distance) C4'-P energy: -118.895 bonds (distance) P-C4' energy: -118.147 flat angles C4'-P-C4' energy: -136.345 flat angles P-C4'-P energy: -90.611 tors. eta vs tors. theta energy: -199.799 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: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2045.063831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.063831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.063831 (E_RNA) where: Base-Base interactions energy: -1445.866 where: short stacking energy: -607.258 Base-Backbone interact. energy: -4.246 local terms energy: -594.951559 where: bonds (distance) C4'-P energy: -97.240 bonds (distance) P-C4' energy: -115.446 flat angles C4'-P-C4' energy: -135.238 flat angles P-C4'-P energy: -78.723 tors. eta vs tors. theta energy: -168.304 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: 7, replica: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1930.727041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.727041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.727041 (E_RNA) where: Base-Base interactions energy: -1326.850 where: short stacking energy: -552.795 Base-Backbone interact. energy: -5.770 local terms energy: -598.106979 where: bonds (distance) C4'-P energy: -101.552 bonds (distance) P-C4' energy: -119.707 flat angles C4'-P-C4' energy: -138.866 flat angles P-C4'-P energy: -87.253 tors. eta vs tors. theta energy: -150.729 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: 3 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1703.307339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.307339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.307339 (E_RNA) where: Base-Base interactions energy: -1179.001 where: short stacking energy: -514.001 Base-Backbone interact. energy: -0.527 local terms energy: -523.778597 where: bonds (distance) C4'-P energy: -86.103 bonds (distance) P-C4' energy: -116.599 flat angles C4'-P-C4' energy: -127.536 flat angles P-C4'-P energy: -76.152 tors. eta vs tors. theta energy: -117.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1535.460719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.460719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.460719 (E_RNA) where: Base-Base interactions energy: -1030.998 where: short stacking energy: -420.499 Base-Backbone interact. energy: -2.294 local terms energy: -502.169032 where: bonds (distance) C4'-P energy: -126.748 bonds (distance) P-C4' energy: -115.245 flat angles C4'-P-C4' energy: -107.930 flat angles P-C4'-P energy: -73.081 tors. eta vs tors. theta energy: -79.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1135.515242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.515242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.515242 (E_RNA) where: Base-Base interactions energy: -673.219 where: short stacking energy: -329.608 Base-Backbone interact. energy: 4.435 local terms energy: -466.731319 where: bonds (distance) C4'-P energy: -128.521 bonds (distance) P-C4' energy: -95.015 flat angles C4'-P-C4' energy: -112.005 flat angles P-C4'-P energy: -71.942 tors. eta vs tors. theta energy: -59.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2617.692647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.692647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.692647 (E_RNA) where: Base-Base interactions energy: -1857.361 where: short stacking energy: -747.981 Base-Backbone interact. energy: -1.487 local terms energy: -758.845438 where: bonds (distance) C4'-P energy: -130.795 bonds (distance) P-C4' energy: -124.940 flat angles C4'-P-C4' energy: -153.978 flat angles P-C4'-P energy: -116.777 tors. eta vs tors. theta energy: -232.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2606.356598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.356598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.356598 (E_RNA) where: Base-Base interactions energy: -1848.010 where: short stacking energy: -763.611 Base-Backbone interact. energy: -0.090 local terms energy: -758.256835 where: bonds (distance) C4'-P energy: -122.061 bonds (distance) P-C4' energy: -119.408 flat angles C4'-P-C4' energy: -164.897 flat angles P-C4'-P energy: -122.991 tors. eta vs tors. theta energy: -228.900 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: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2539.068787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.068787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.068787 (E_RNA) where: Base-Base interactions energy: -1804.832 where: short stacking energy: -724.019 Base-Backbone interact. energy: -3.364 local terms energy: -730.872752 where: bonds (distance) C4'-P energy: -131.345 bonds (distance) P-C4' energy: -132.003 flat angles C4'-P-C4' energy: -148.749 flat angles P-C4'-P energy: -92.517 tors. eta vs tors. theta energy: -226.258 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: 204 Temperature: 1.050000 Total energy: -2496.492774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.492774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.492774 (E_RNA) where: Base-Base interactions energy: -1772.333 where: short stacking energy: -728.982 Base-Backbone interact. energy: -0.602 local terms energy: -723.557028 where: bonds (distance) C4'-P energy: -114.632 bonds (distance) P-C4' energy: -115.936 flat angles C4'-P-C4' energy: -155.096 flat angles P-C4'-P energy: -110.405 tors. eta vs tors. theta energy: -227.488 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: 204 Temperature: 1.100000 Total energy: -2303.925635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.925635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.925635 (E_RNA) where: Base-Base interactions energy: -1635.836 where: short stacking energy: -689.411 Base-Backbone interact. energy: -1.537 local terms energy: -666.553171 where: bonds (distance) C4'-P energy: -115.993 bonds (distance) P-C4' energy: -126.239 flat angles C4'-P-C4' energy: -145.071 flat angles P-C4'-P energy: -79.742 tors. eta vs tors. theta energy: -199.507 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: 6, replica: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2045.539356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.539356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.539356 (E_RNA) where: Base-Base interactions energy: -1418.989 where: short stacking energy: -598.434 Base-Backbone interact. energy: -1.565 local terms energy: -624.985545 where: bonds (distance) C4'-P energy: -109.205 bonds (distance) P-C4' energy: -111.683 flat angles C4'-P-C4' energy: -139.333 flat angles P-C4'-P energy: -95.564 tors. eta vs tors. theta energy: -169.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1930.502176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.502176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.502176 (E_RNA) where: Base-Base interactions energy: -1352.200 where: short stacking energy: -552.905 Base-Backbone interact. energy: 2.244 local terms energy: -580.545753 where: bonds (distance) C4'-P energy: -90.884 bonds (distance) P-C4' energy: -122.950 flat angles C4'-P-C4' energy: -126.627 flat angles P-C4'-P energy: -89.523 tors. eta vs tors. theta energy: -150.561 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: 8, replica: 3 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1715.998196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.998196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.998196 (E_RNA) where: Base-Base interactions energy: -1186.953 where: short stacking energy: -482.886 Base-Backbone interact. energy: -0.752 local terms energy: -528.293293 where: bonds (distance) C4'-P energy: -97.563 bonds (distance) P-C4' energy: -100.773 flat angles C4'-P-C4' energy: -128.134 flat angles P-C4'-P energy: -70.125 tors. eta vs tors. theta energy: -131.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1598.722975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.722975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.722975 (E_RNA) where: Base-Base interactions energy: -1076.083 where: short stacking energy: -432.344 Base-Backbone interact. energy: -1.020 local terms energy: -521.620552 where: bonds (distance) C4'-P energy: -101.487 bonds (distance) P-C4' energy: -120.468 flat angles C4'-P-C4' energy: -128.251 flat angles P-C4'-P energy: -89.806 tors. eta vs tors. theta energy: -81.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -1096.945354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.945354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.945354 (E_RNA) where: Base-Base interactions energy: -693.117 where: short stacking energy: -319.544 Base-Backbone interact. energy: -0.683 local terms energy: -403.145760 where: bonds (distance) C4'-P energy: -91.394 bonds (distance) P-C4' energy: -103.010 flat angles C4'-P-C4' energy: -105.307 flat angles P-C4'-P energy: -59.422 tors. eta vs tors. theta energy: -44.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2642.213733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.213733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.213733 (E_RNA) where: Base-Base interactions energy: -1863.089 where: short stacking energy: -779.684 Base-Backbone interact. energy: -1.220 local terms energy: -777.903974 where: bonds (distance) C4'-P energy: -134.855 bonds (distance) P-C4' energy: -143.105 flat angles C4'-P-C4' energy: -157.923 flat angles P-C4'-P energy: -105.241 tors. eta vs tors. theta energy: -236.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2605.242262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.242262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.242262 (E_RNA) where: Base-Base interactions energy: -1835.871 where: short stacking energy: -754.349 Base-Backbone interact. energy: -0.655 local terms energy: -768.716525 where: bonds (distance) C4'-P energy: -141.710 bonds (distance) P-C4' energy: -140.640 flat angles C4'-P-C4' energy: -162.121 flat angles P-C4'-P energy: -93.129 tors. eta vs tors. theta energy: -231.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2530.882932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.882932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.882932 (E_RNA) where: Base-Base interactions energy: -1805.503 where: short stacking energy: -717.344 Base-Backbone interact. energy: -2.262 local terms energy: -723.117533 where: bonds (distance) C4'-P energy: -122.878 bonds (distance) P-C4' energy: -130.725 flat angles C4'-P-C4' energy: -149.850 flat angles P-C4'-P energy: -106.904 tors. eta vs tors. theta energy: -212.761 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: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2506.477705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.477705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.477705 (E_RNA) where: Base-Base interactions energy: -1764.418 where: short stacking energy: -741.292 Base-Backbone interact. energy: -3.405 local terms energy: -738.654536 where: bonds (distance) C4'-P energy: -125.594 bonds (distance) P-C4' energy: -132.202 flat angles C4'-P-C4' energy: -147.456 flat angles P-C4'-P energy: -97.287 tors. eta vs tors. theta energy: -236.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2291.055077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.055077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.055077 (E_RNA) where: Base-Base interactions energy: -1640.396 where: short stacking energy: -671.432 Base-Backbone interact. energy: -0.542 local terms energy: -650.117207 where: bonds (distance) C4'-P energy: -105.361 bonds (distance) P-C4' energy: -117.852 flat angles C4'-P-C4' energy: -138.152 flat angles P-C4'-P energy: -94.320 tors. eta vs tors. theta energy: -194.432 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: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2010.436461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.436461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.436461 (E_RNA) where: Base-Base interactions energy: -1362.719 where: short stacking energy: -578.741 Base-Backbone interact. energy: 1.702 local terms energy: -649.418873 where: bonds (distance) C4'-P energy: -109.041 bonds (distance) P-C4' energy: -125.004 flat angles C4'-P-C4' energy: -139.663 flat angles P-C4'-P energy: -97.252 tors. eta vs tors. theta energy: -178.459 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: 7, replica: 7 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1917.097935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.097935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.097935 (E_RNA) where: Base-Base interactions energy: -1318.269 where: short stacking energy: -572.588 Base-Backbone interact. energy: -0.620 local terms energy: -598.208715 where: bonds (distance) C4'-P energy: -98.927 bonds (distance) P-C4' energy: -106.421 flat angles C4'-P-C4' energy: -122.317 flat angles P-C4'-P energy: -96.751 tors. eta vs tors. theta energy: -173.793 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: 8, replica: 3 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1744.627025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.627025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.627025 (E_RNA) where: Base-Base interactions energy: -1192.875 where: short stacking energy: -505.071 Base-Backbone interact. energy: 1.417 local terms energy: -553.169214 where: bonds (distance) C4'-P energy: -101.371 bonds (distance) P-C4' energy: -112.196 flat angles C4'-P-C4' energy: -134.201 flat angles P-C4'-P energy: -79.671 tors. eta vs tors. theta energy: -125.731 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: 4 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1600.623847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.623847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.623847 (E_RNA) where: Base-Base interactions energy: -1112.263 where: short stacking energy: -506.745 Base-Backbone interact. energy: 4.243 local terms energy: -492.604480 where: bonds (distance) C4'-P energy: -90.529 bonds (distance) P-C4' energy: -104.399 flat angles C4'-P-C4' energy: -122.459 flat angles P-C4'-P energy: -63.717 tors. eta vs tors. theta energy: -111.500 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: 6 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1087.838809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.838809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.838809 (E_RNA) where: Base-Base interactions energy: -654.033 where: short stacking energy: -313.368 Base-Backbone interact. energy: -1.177 local terms energy: -432.628762 where: bonds (distance) C4'-P energy: -116.271 bonds (distance) P-C4' energy: -106.258 flat angles C4'-P-C4' energy: -97.530 flat angles P-C4'-P energy: -67.849 tors. eta vs tors. theta energy: -44.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2634.561649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.561649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.561649 (E_RNA) where: Base-Base interactions energy: -1853.028 where: short stacking energy: -754.265 Base-Backbone interact. energy: 0.506 local terms energy: -782.040157 where: bonds (distance) C4'-P energy: -132.363 bonds (distance) P-C4' energy: -150.971 flat angles C4'-P-C4' energy: -157.427 flat angles P-C4'-P energy: -106.753 tors. eta vs tors. theta energy: -234.525 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: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2588.701275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.701275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.701275 (E_RNA) where: Base-Base interactions energy: -1836.269 where: short stacking energy: -765.523 Base-Backbone interact. energy: -0.345 local terms energy: -752.086654 where: bonds (distance) C4'-P energy: -125.861 bonds (distance) P-C4' energy: -129.621 flat angles C4'-P-C4' energy: -169.067 flat angles P-C4'-P energy: -106.279 tors. eta vs tors. theta energy: -221.258 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: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2565.785229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.785229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.785229 (E_RNA) where: Base-Base interactions energy: -1854.768 where: short stacking energy: -741.168 Base-Backbone interact. energy: -1.120 local terms energy: -709.896975 where: bonds (distance) C4'-P energy: -119.948 bonds (distance) P-C4' energy: -124.338 flat angles C4'-P-C4' energy: -152.555 flat angles P-C4'-P energy: -95.317 tors. eta vs tors. theta energy: -217.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2484.222011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.222011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.222011 (E_RNA) where: Base-Base interactions energy: -1758.379 where: short stacking energy: -734.189 Base-Backbone interact. energy: -2.850 local terms energy: -722.993444 where: bonds (distance) C4'-P energy: -104.578 bonds (distance) P-C4' energy: -135.816 flat angles C4'-P-C4' energy: -151.048 flat angles P-C4'-P energy: -96.748 tors. eta vs tors. theta energy: -234.803 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: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2273.732312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.732312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.732312 (E_RNA) where: Base-Base interactions energy: -1584.491 where: short stacking energy: -644.768 Base-Backbone interact. energy: -3.547 local terms energy: -685.694976 where: bonds (distance) C4'-P energy: -142.608 bonds (distance) P-C4' energy: -115.327 flat angles C4'-P-C4' energy: -143.838 flat angles P-C4'-P energy: -90.451 tors. eta vs tors. theta energy: -193.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1931.873148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.873148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.873148 (E_RNA) where: Base-Base interactions energy: -1337.734 where: short stacking energy: -552.478 Base-Backbone interact. energy: 0.970 local terms energy: -595.109499 where: bonds (distance) C4'-P energy: -111.953 bonds (distance) P-C4' energy: -115.037 flat angles C4'-P-C4' energy: -121.779 flat angles P-C4'-P energy: -83.634 tors. eta vs tors. theta energy: -162.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1976.624082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.624082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.624082 (E_RNA) where: Base-Base interactions energy: -1351.399 where: short stacking energy: -582.355 Base-Backbone interact. energy: 1.311 local terms energy: -626.535470 where: bonds (distance) C4'-P energy: -116.978 bonds (distance) P-C4' energy: -111.591 flat angles C4'-P-C4' energy: -141.114 flat angles P-C4'-P energy: -84.399 tors. eta vs tors. theta energy: -172.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1752.726028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.726028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.726028 (E_RNA) where: Base-Base interactions energy: -1196.704 where: short stacking energy: -494.642 Base-Backbone interact. energy: -2.512 local terms energy: -553.510974 where: bonds (distance) C4'-P energy: -124.479 bonds (distance) P-C4' energy: -87.102 flat angles C4'-P-C4' energy: -127.817 flat angles P-C4'-P energy: -83.149 tors. eta vs tors. theta energy: -130.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1533.903335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.903335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.903335 (E_RNA) where: Base-Base interactions energy: -1059.193 where: short stacking energy: -466.657 Base-Backbone interact. energy: 1.197 local terms energy: -475.907214 where: bonds (distance) C4'-P energy: -94.382 bonds (distance) P-C4' energy: -110.240 flat angles C4'-P-C4' energy: -118.963 flat angles P-C4'-P energy: -57.264 tors. eta vs tors. theta energy: -95.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1035.133278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.133278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.133278 (E_RNA) where: Base-Base interactions energy: -612.778 where: short stacking energy: -296.342 Base-Backbone interact. energy: -1.401 local terms energy: -420.953338 where: bonds (distance) C4'-P energy: -84.059 bonds (distance) P-C4' energy: -107.532 flat angles C4'-P-C4' energy: -120.041 flat angles P-C4'-P energy: -67.416 tors. eta vs tors. theta energy: -41.907 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: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2623.164698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.164698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.164698 (E_RNA) where: Base-Base interactions energy: -1846.372 where: short stacking energy: -741.502 Base-Backbone interact. energy: -1.519 local terms energy: -775.274275 where: bonds (distance) C4'-P energy: -142.653 bonds (distance) P-C4' energy: -135.815 flat angles C4'-P-C4' energy: -157.794 flat angles P-C4'-P energy: -112.150 tors. eta vs tors. theta energy: -226.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2625.524815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.524815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.524815 (E_RNA) where: Base-Base interactions energy: -1892.802 where: short stacking energy: -738.326 Base-Backbone interact. energy: -2.257 local terms energy: -730.466254 where: bonds (distance) C4'-P energy: -126.644 bonds (distance) P-C4' energy: -134.989 flat angles C4'-P-C4' energy: -140.110 flat angles P-C4'-P energy: -103.403 tors. eta vs tors. theta energy: -225.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2549.955887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.955887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.955887 (E_RNA) where: Base-Base interactions energy: -1800.883 where: short stacking energy: -723.399 Base-Backbone interact. energy: -3.591 local terms energy: -745.481874 where: bonds (distance) C4'-P energy: -121.083 bonds (distance) P-C4' energy: -138.034 flat angles C4'-P-C4' energy: -162.185 flat angles P-C4'-P energy: -101.037 tors. eta vs tors. theta energy: -223.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2456.228163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.228163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.228163 (E_RNA) where: Base-Base interactions energy: -1744.037 where: short stacking energy: -702.349 Base-Backbone interact. energy: -2.222 local terms energy: -709.969577 where: bonds (distance) C4'-P energy: -126.501 bonds (distance) P-C4' energy: -111.344 flat angles C4'-P-C4' energy: -146.934 flat angles P-C4'-P energy: -102.371 tors. eta vs tors. theta energy: -222.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2249.391218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.391218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.391218 (E_RNA) where: Base-Base interactions energy: -1607.584 where: short stacking energy: -667.013 Base-Backbone interact. energy: 0.367 local terms energy: -642.174287 where: bonds (distance) C4'-P energy: -117.580 bonds (distance) P-C4' energy: -117.815 flat angles C4'-P-C4' energy: -126.247 flat angles P-C4'-P energy: -82.731 tors. eta vs tors. theta energy: -197.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2013.327389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.327389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.327389 (E_RNA) where: Base-Base interactions energy: -1411.018 where: short stacking energy: -580.311 Base-Backbone interact. energy: 0.502 local terms energy: -602.811833 where: bonds (distance) C4'-P energy: -116.086 bonds (distance) P-C4' energy: -103.480 flat angles C4'-P-C4' energy: -132.526 flat angles P-C4'-P energy: -77.305 tors. eta vs tors. theta energy: -173.416 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: 5 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1904.746276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.746276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.746276 (E_RNA) where: Base-Base interactions energy: -1327.889 where: short stacking energy: -574.078 Base-Backbone interact. energy: 7.770 local terms energy: -584.627414 where: bonds (distance) C4'-P energy: -97.393 bonds (distance) P-C4' energy: -128.009 flat angles C4'-P-C4' energy: -116.785 flat angles P-C4'-P energy: -88.284 tors. eta vs tors. theta energy: -154.157 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: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1782.249328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.249328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.249328 (E_RNA) where: Base-Base interactions energy: -1226.463 where: short stacking energy: -523.190 Base-Backbone interact. energy: -0.761 local terms energy: -555.025749 where: bonds (distance) C4'-P energy: -112.112 bonds (distance) P-C4' energy: -108.240 flat angles C4'-P-C4' energy: -128.599 flat angles P-C4'-P energy: -81.013 tors. eta vs tors. theta energy: -125.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1548.086350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.086350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.086350 (E_RNA) where: Base-Base interactions energy: -1051.425 where: short stacking energy: -423.207 Base-Backbone interact. energy: -0.243 local terms energy: -496.417531 where: bonds (distance) C4'-P energy: -104.061 bonds (distance) P-C4' energy: -100.545 flat angles C4'-P-C4' energy: -123.394 flat angles P-C4'-P energy: -85.960 tors. eta vs tors. theta energy: -82.457 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: 6 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -1015.595275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.595275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.595275 (E_RNA) where: Base-Base interactions energy: -608.006 where: short stacking energy: -289.653 Base-Backbone interact. energy: 3.361 local terms energy: -410.950069 where: bonds (distance) C4'-P energy: -101.306 bonds (distance) P-C4' energy: -99.066 flat angles C4'-P-C4' energy: -106.592 flat angles P-C4'-P energy: -68.565 tors. eta vs tors. theta energy: -35.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2595.626680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.626680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.626680 (E_RNA) where: Base-Base interactions energy: -1861.346 where: short stacking energy: -762.945 Base-Backbone interact. energy: -1.389 local terms energy: -732.891811 where: bonds (distance) C4'-P energy: -117.909 bonds (distance) P-C4' energy: -118.798 flat angles C4'-P-C4' energy: -164.045 flat angles P-C4'-P energy: -102.108 tors. eta vs tors. theta energy: -230.030 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: 2, replica: 8 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2643.660549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.660549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.660549 (E_RNA) where: Base-Base interactions energy: -1884.986 where: short stacking energy: -751.549 Base-Backbone interact. energy: -2.233 local terms energy: -756.441506 where: bonds (distance) C4'-P energy: -132.528 bonds (distance) P-C4' energy: -131.623 flat angles C4'-P-C4' energy: -160.599 flat angles P-C4'-P energy: -103.459 tors. eta vs tors. theta energy: -228.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2566.657995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.657995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.657995 (E_RNA) where: Base-Base interactions energy: -1812.636 where: short stacking energy: -741.195 Base-Backbone interact. energy: -1.067 local terms energy: -752.954823 where: bonds (distance) C4'-P energy: -135.919 bonds (distance) P-C4' energy: -126.884 flat angles C4'-P-C4' energy: -158.938 flat angles P-C4'-P energy: -99.247 tors. eta vs tors. theta energy: -231.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2440.803644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.803644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.803644 (E_RNA) where: Base-Base interactions energy: -1732.031 where: short stacking energy: -698.844 Base-Backbone interact. energy: -3.145 local terms energy: -705.627657 where: bonds (distance) C4'-P energy: -118.433 bonds (distance) P-C4' energy: -137.558 flat angles C4'-P-C4' energy: -139.434 flat angles P-C4'-P energy: -91.641 tors. eta vs tors. theta energy: -218.562 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: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2275.596117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.596117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.596117 (E_RNA) where: Base-Base interactions energy: -1598.187 where: short stacking energy: -666.441 Base-Backbone interact. energy: -3.186 local terms energy: -674.222944 where: bonds (distance) C4'-P energy: -127.821 bonds (distance) P-C4' energy: -118.890 flat angles C4'-P-C4' energy: -151.643 flat angles P-C4'-P energy: -86.886 tors. eta vs tors. theta energy: -188.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2022.514233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.514233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.514233 (E_RNA) where: Base-Base interactions energy: -1426.843 where: short stacking energy: -590.636 Base-Backbone interact. energy: -2.593 local terms energy: -593.077347 where: bonds (distance) C4'-P energy: -102.140 bonds (distance) P-C4' energy: -118.643 flat angles C4'-P-C4' energy: -133.484 flat angles P-C4'-P energy: -79.250 tors. eta vs tors. theta energy: -159.562 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: 7, replica: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1882.823405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.823405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.823405 (E_RNA) where: Base-Base interactions energy: -1288.754 where: short stacking energy: -543.241 Base-Backbone interact. energy: -1.176 local terms energy: -592.893384 where: bonds (distance) C4'-P energy: -107.880 bonds (distance) P-C4' energy: -118.137 flat angles C4'-P-C4' energy: -120.097 flat angles P-C4'-P energy: -85.519 tors. eta vs tors. theta energy: -161.260 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: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1690.732593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.732593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.732593 (E_RNA) where: Base-Base interactions energy: -1150.390 where: short stacking energy: -460.683 Base-Backbone interact. energy: -1.945 local terms energy: -538.398030 where: bonds (distance) C4'-P energy: -121.016 bonds (distance) P-C4' energy: -120.669 flat angles C4'-P-C4' energy: -120.158 flat angles P-C4'-P energy: -71.949 tors. eta vs tors. theta energy: -104.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1573.889019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.889019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.889019 (E_RNA) where: Base-Base interactions energy: -1057.423 where: short stacking energy: -445.612 Base-Backbone interact. energy: -0.369 local terms energy: -516.096842 where: bonds (distance) C4'-P energy: -115.017 bonds (distance) P-C4' energy: -107.357 flat angles C4'-P-C4' energy: -108.583 flat angles P-C4'-P energy: -66.966 tors. eta vs tors. theta energy: -118.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1087.683496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.683496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.683496 (E_RNA) where: Base-Base interactions energy: -651.438 where: short stacking energy: -294.499 Base-Backbone interact. energy: 5.688 local terms energy: -441.933082 where: bonds (distance) C4'-P energy: -105.787 bonds (distance) P-C4' energy: -102.602 flat angles C4'-P-C4' energy: -120.072 flat angles P-C4'-P energy: -67.202 tors. eta vs tors. theta energy: -46.271 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: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2629.884346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.884346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.884346 (E_RNA) where: Base-Base interactions energy: -1857.723 where: short stacking energy: -769.882 Base-Backbone interact. energy: 2.196 local terms energy: -774.357561 where: bonds (distance) C4'-P energy: -137.021 bonds (distance) P-C4' energy: -129.692 flat angles C4'-P-C4' energy: -163.064 flat angles P-C4'-P energy: -107.404 tors. eta vs tors. theta energy: -237.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2591.104207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.104207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.104207 (E_RNA) where: Base-Base interactions energy: -1837.436 where: short stacking energy: -757.091 Base-Backbone interact. energy: 1.045 local terms energy: -754.712336 where: bonds (distance) C4'-P energy: -133.840 bonds (distance) P-C4' energy: -124.522 flat angles C4'-P-C4' energy: -160.529 flat angles P-C4'-P energy: -113.787 tors. eta vs tors. theta energy: -222.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2583.453508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.453508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.453508 (E_RNA) where: Base-Base interactions energy: -1842.454 where: short stacking energy: -749.579 Base-Backbone interact. energy: -0.961 local terms energy: -740.038246 where: bonds (distance) C4'-P energy: -137.623 bonds (distance) P-C4' energy: -127.760 flat angles C4'-P-C4' energy: -150.603 flat angles P-C4'-P energy: -102.639 tors. eta vs tors. theta energy: -221.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2465.640996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.640996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.640996 (E_RNA) where: Base-Base interactions energy: -1747.136 where: short stacking energy: -692.943 Base-Backbone interact. energy: -2.170 local terms energy: -716.335062 where: bonds (distance) C4'-P energy: -121.397 bonds (distance) P-C4' energy: -135.289 flat angles C4'-P-C4' energy: -148.085 flat angles P-C4'-P energy: -100.459 tors. eta vs tors. theta energy: -211.105 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: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2281.334258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.334258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.334258 (E_RNA) where: Base-Base interactions energy: -1596.704 where: short stacking energy: -660.339 Base-Backbone interact. energy: -2.681 local terms energy: -681.949797 where: bonds (distance) C4'-P energy: -122.232 bonds (distance) P-C4' energy: -131.653 flat angles C4'-P-C4' energy: -147.267 flat angles P-C4'-P energy: -85.063 tors. eta vs tors. theta energy: -195.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2067.065685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.065685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.065685 (E_RNA) where: Base-Base interactions energy: -1432.708 where: short stacking energy: -585.056 Base-Backbone interact. energy: 3.339 local terms energy: -637.697203 where: bonds (distance) C4'-P energy: -109.413 bonds (distance) P-C4' energy: -113.710 flat angles C4'-P-C4' energy: -142.895 flat angles P-C4'-P energy: -91.344 tors. eta vs tors. theta energy: -180.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1856.263393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.263393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.263393 (E_RNA) where: Base-Base interactions energy: -1278.948 where: short stacking energy: -542.559 Base-Backbone interact. energy: 0.247 local terms energy: -577.561868 where: bonds (distance) C4'-P energy: -100.825 bonds (distance) P-C4' energy: -106.149 flat angles C4'-P-C4' energy: -138.707 flat angles P-C4'-P energy: -73.691 tors. eta vs tors. theta energy: -158.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1605.104961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.104961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.104961 (E_RNA) where: Base-Base interactions energy: -1081.866 where: short stacking energy: -445.554 Base-Backbone interact. energy: 4.584 local terms energy: -527.823607 where: bonds (distance) C4'-P energy: -128.731 bonds (distance) P-C4' energy: -106.233 flat angles C4'-P-C4' energy: -111.644 flat angles P-C4'-P energy: -74.707 tors. eta vs tors. theta energy: -106.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1608.915794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.915794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.915794 (E_RNA) where: Base-Base interactions energy: -1104.760 where: short stacking energy: -466.742 Base-Backbone interact. energy: -3.373 local terms energy: -500.782618 where: bonds (distance) C4'-P energy: -98.546 bonds (distance) P-C4' energy: -94.313 flat angles C4'-P-C4' energy: -119.008 flat angles P-C4'-P energy: -84.145 tors. eta vs tors. theta energy: -104.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1000.441684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.441684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.441684 (E_RNA) where: Base-Base interactions energy: -584.538 where: short stacking energy: -273.051 Base-Backbone interact. energy: -1.930 local terms energy: -413.974116 where: bonds (distance) C4'-P energy: -112.747 bonds (distance) P-C4' energy: -124.137 flat angles C4'-P-C4' energy: -99.693 flat angles P-C4'-P energy: -55.210 tors. eta vs tors. theta energy: -22.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2619.369160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.369160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.369160 (E_RNA) where: Base-Base interactions energy: -1838.005 where: short stacking energy: -766.745 Base-Backbone interact. energy: -3.182 local terms energy: -778.182252 where: bonds (distance) C4'-P energy: -129.972 bonds (distance) P-C4' energy: -145.282 flat angles C4'-P-C4' energy: -169.051 flat angles P-C4'-P energy: -100.621 tors. eta vs tors. theta energy: -233.255 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: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2588.746575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.746575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.746575 (E_RNA) where: Base-Base interactions energy: -1824.098 where: short stacking energy: -744.475 Base-Backbone interact. energy: -4.228 local terms energy: -760.420197 where: bonds (distance) C4'-P energy: -123.043 bonds (distance) P-C4' energy: -143.316 flat angles C4'-P-C4' energy: -155.212 flat angles P-C4'-P energy: -103.375 tors. eta vs tors. theta energy: -235.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2559.565656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.565656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.565656 (E_RNA) where: Base-Base interactions energy: -1827.345 where: short stacking energy: -720.084 Base-Backbone interact. energy: -3.044 local terms energy: -729.176879 where: bonds (distance) C4'-P energy: -126.885 bonds (distance) P-C4' energy: -121.061 flat angles C4'-P-C4' energy: -159.922 flat angles P-C4'-P energy: -93.867 tors. eta vs tors. theta energy: -227.442 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: 210 Temperature: 1.050000 Total energy: -2435.793183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.793183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.793183 (E_RNA) where: Base-Base interactions energy: -1728.909 where: short stacking energy: -699.982 Base-Backbone interact. energy: -0.468 local terms energy: -706.416383 where: bonds (distance) C4'-P energy: -104.335 bonds (distance) P-C4' energy: -124.707 flat angles C4'-P-C4' energy: -159.790 flat angles P-C4'-P energy: -97.729 tors. eta vs tors. theta energy: -219.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2289.109269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.109269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.109269 (E_RNA) where: Base-Base interactions energy: -1612.714 where: short stacking energy: -675.660 Base-Backbone interact. energy: 0.634 local terms energy: -677.028712 where: bonds (distance) C4'-P energy: -108.333 bonds (distance) P-C4' energy: -128.517 flat angles C4'-P-C4' energy: -140.017 flat angles P-C4'-P energy: -94.593 tors. eta vs tors. theta energy: -205.568 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: 210 Temperature: 1.150000 Total energy: -2040.135459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.135459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.135459 (E_RNA) where: Base-Base interactions energy: -1404.743 where: short stacking energy: -573.469 Base-Backbone interact. energy: -0.938 local terms energy: -634.454705 where: bonds (distance) C4'-P energy: -114.817 bonds (distance) P-C4' energy: -119.540 flat angles C4'-P-C4' energy: -143.201 flat angles P-C4'-P energy: -86.850 tors. eta vs tors. theta energy: -170.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1823.924966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.924966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.924966 (E_RNA) where: Base-Base interactions energy: -1250.854 where: short stacking energy: -545.487 Base-Backbone interact. energy: 2.294 local terms energy: -575.364887 where: bonds (distance) C4'-P energy: -105.118 bonds (distance) P-C4' energy: -102.442 flat angles C4'-P-C4' energy: -132.374 flat angles P-C4'-P energy: -85.694 tors. eta vs tors. theta energy: -149.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1649.809606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.809606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.809606 (E_RNA) where: Base-Base interactions energy: -1146.387 where: short stacking energy: -450.076 Base-Backbone interact. energy: -1.623 local terms energy: -501.799614 where: bonds (distance) C4'-P energy: -114.693 bonds (distance) P-C4' energy: -109.082 flat angles C4'-P-C4' energy: -110.992 flat angles P-C4'-P energy: -57.423 tors. eta vs tors. theta energy: -109.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1619.378841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.378841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.378841 (E_RNA) where: Base-Base interactions energy: -1114.392 where: short stacking energy: -476.283 Base-Backbone interact. energy: -1.617 local terms energy: -503.369733 where: bonds (distance) C4'-P energy: -100.627 bonds (distance) P-C4' energy: -101.837 flat angles C4'-P-C4' energy: -124.592 flat angles P-C4'-P energy: -72.525 tors. eta vs tors. theta energy: -103.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1007.250576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.250576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.250576 (E_RNA) where: Base-Base interactions energy: -603.883 where: short stacking energy: -256.859 Base-Backbone interact. energy: -5.551 local terms energy: -397.816073 where: bonds (distance) C4'-P energy: -114.187 bonds (distance) P-C4' energy: -98.675 flat angles C4'-P-C4' energy: -93.172 flat angles P-C4'-P energy: -66.168 tors. eta vs tors. theta energy: -25.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2629.251160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.251160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.251160 (E_RNA) where: Base-Base interactions energy: -1876.320 where: short stacking energy: -758.954 Base-Backbone interact. energy: -3.836 local terms energy: -749.095537 where: bonds (distance) C4'-P energy: -124.121 bonds (distance) P-C4' energy: -132.220 flat angles C4'-P-C4' energy: -154.564 flat angles P-C4'-P energy: -107.045 tors. eta vs tors. theta energy: -231.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2614.426243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.426243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.426243 (E_RNA) where: Base-Base interactions energy: -1893.431 where: short stacking energy: -758.348 Base-Backbone interact. energy: -3.374 local terms energy: -717.620597 where: bonds (distance) C4'-P energy: -118.279 bonds (distance) P-C4' energy: -114.046 flat angles C4'-P-C4' energy: -154.379 flat angles P-C4'-P energy: -102.778 tors. eta vs tors. theta energy: -228.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2554.558399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.558399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.558399 (E_RNA) where: Base-Base interactions energy: -1839.834 where: short stacking energy: -761.746 Base-Backbone interact. energy: -1.842 local terms energy: -712.882704 where: bonds (distance) C4'-P energy: -108.434 bonds (distance) P-C4' energy: -118.136 flat angles C4'-P-C4' energy: -155.715 flat angles P-C4'-P energy: -104.143 tors. eta vs tors. theta energy: -226.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2474.719391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.719391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.719391 (E_RNA) where: Base-Base interactions energy: -1769.307 where: short stacking energy: -737.437 Base-Backbone interact. energy: 1.709 local terms energy: -707.120908 where: bonds (distance) C4'-P energy: -130.001 bonds (distance) P-C4' energy: -117.697 flat angles C4'-P-C4' energy: -142.713 flat angles P-C4'-P energy: -84.834 tors. eta vs tors. theta energy: -231.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2292.762024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.762024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.762024 (E_RNA) where: Base-Base interactions energy: -1624.074 where: short stacking energy: -659.158 Base-Backbone interact. energy: -3.282 local terms energy: -665.405612 where: bonds (distance) C4'-P energy: -111.974 bonds (distance) P-C4' energy: -113.106 flat angles C4'-P-C4' energy: -146.371 flat angles P-C4'-P energy: -96.887 tors. eta vs tors. theta energy: -197.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2024.869846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.869846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.869846 (E_RNA) where: Base-Base interactions energy: -1416.254 where: short stacking energy: -619.720 Base-Backbone interact. energy: -1.504 local terms energy: -607.111875 where: bonds (distance) C4'-P energy: -122.112 bonds (distance) P-C4' energy: -103.556 flat angles C4'-P-C4' energy: -133.013 flat angles P-C4'-P energy: -84.811 tors. eta vs tors. theta energy: -163.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1839.483648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.483648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.483648 (E_RNA) where: Base-Base interactions energy: -1255.793 where: short stacking energy: -549.855 Base-Backbone interact. energy: 0.120 local terms energy: -583.810688 where: bonds (distance) C4'-P energy: -116.270 bonds (distance) P-C4' energy: -111.166 flat angles C4'-P-C4' energy: -136.736 flat angles P-C4'-P energy: -71.090 tors. eta vs tors. theta energy: -148.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1726.787979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.787979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.787979 (E_RNA) where: Base-Base interactions energy: -1187.787 where: short stacking energy: -511.463 Base-Backbone interact. energy: -2.135 local terms energy: -536.865926 where: bonds (distance) C4'-P energy: -113.218 bonds (distance) P-C4' energy: -116.218 flat angles C4'-P-C4' energy: -112.050 flat angles P-C4'-P energy: -74.471 tors. eta vs tors. theta energy: -120.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1507.496827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.496827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.496827 (E_RNA) where: Base-Base interactions energy: -1006.674 where: short stacking energy: -425.724 Base-Backbone interact. energy: 1.291 local terms energy: -502.113780 where: bonds (distance) C4'-P energy: -108.486 bonds (distance) P-C4' energy: -101.057 flat angles C4'-P-C4' energy: -114.263 flat angles P-C4'-P energy: -79.664 tors. eta vs tors. theta energy: -98.643 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: 6 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -913.294610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.294610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.294610 (E_RNA) where: Base-Base interactions energy: -552.425 where: short stacking energy: -251.386 Base-Backbone interact. energy: -2.343 local terms energy: -358.526510 where: bonds (distance) C4'-P energy: -100.836 bonds (distance) P-C4' energy: -99.346 flat angles C4'-P-C4' energy: -105.260 flat angles P-C4'-P energy: -54.621 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: 1, replica: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2637.318503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.318503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.318503 (E_RNA) where: Base-Base interactions energy: -1904.422 where: short stacking energy: -771.221 Base-Backbone interact. energy: -0.398 local terms energy: -732.498649 where: bonds (distance) C4'-P energy: -135.843 bonds (distance) P-C4' energy: -127.400 flat angles C4'-P-C4' energy: -145.830 flat angles P-C4'-P energy: -103.800 tors. eta vs tors. theta energy: -219.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2611.698012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.698012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.698012 (E_RNA) where: Base-Base interactions energy: -1849.644 where: short stacking energy: -749.478 Base-Backbone interact. energy: -1.183 local terms energy: -760.871060 where: bonds (distance) C4'-P energy: -131.208 bonds (distance) P-C4' energy: -136.133 flat angles C4'-P-C4' energy: -145.130 flat angles P-C4'-P energy: -112.889 tors. eta vs tors. theta energy: -235.512 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: 10 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2563.831675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.831675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.831675 (E_RNA) where: Base-Base interactions energy: -1824.215 where: short stacking energy: -745.098 Base-Backbone interact. energy: 1.294 local terms energy: -740.910481 where: bonds (distance) C4'-P energy: -129.322 bonds (distance) P-C4' energy: -122.469 flat angles C4'-P-C4' energy: -153.843 flat angles P-C4'-P energy: -114.065 tors. eta vs tors. theta energy: -221.211 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: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2438.604287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.604287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.604287 (E_RNA) where: Base-Base interactions energy: -1717.319 where: short stacking energy: -699.118 Base-Backbone interact. energy: 0.207 local terms energy: -721.492213 where: bonds (distance) C4'-P energy: -123.122 bonds (distance) P-C4' energy: -132.367 flat angles C4'-P-C4' energy: -147.309 flat angles P-C4'-P energy: -97.327 tors. eta vs tors. theta energy: -221.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2295.688530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.688530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.688530 (E_RNA) where: Base-Base interactions energy: -1621.134 where: short stacking energy: -662.503 Base-Backbone interact. energy: -1.306 local terms energy: -673.248737 where: bonds (distance) C4'-P energy: -111.382 bonds (distance) P-C4' energy: -111.896 flat angles C4'-P-C4' energy: -140.014 flat angles P-C4'-P energy: -96.432 tors. eta vs tors. theta energy: -213.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2022.539550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.539550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.539550 (E_RNA) where: Base-Base interactions energy: -1426.318 where: short stacking energy: -588.741 Base-Backbone interact. energy: -1.718 local terms energy: -594.504271 where: bonds (distance) C4'-P energy: -106.584 bonds (distance) P-C4' energy: -121.343 flat angles C4'-P-C4' energy: -133.684 flat angles P-C4'-P energy: -72.645 tors. eta vs tors. theta energy: -160.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1833.377962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.377962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.377962 (E_RNA) where: Base-Base interactions energy: -1266.936 where: short stacking energy: -554.678 Base-Backbone interact. energy: -1.844 local terms energy: -564.597587 where: bonds (distance) C4'-P energy: -118.617 bonds (distance) P-C4' energy: -135.220 flat angles C4'-P-C4' energy: -110.226 flat angles P-C4'-P energy: -55.187 tors. eta vs tors. theta energy: -145.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1688.318853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.318853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.318853 (E_RNA) where: Base-Base interactions energy: -1145.806 where: short stacking energy: -472.518 Base-Backbone interact. energy: -0.271 local terms energy: -542.242102 where: bonds (distance) C4'-P energy: -105.006 bonds (distance) P-C4' energy: -120.657 flat angles C4'-P-C4' energy: -123.993 flat angles P-C4'-P energy: -90.969 tors. eta vs tors. theta energy: -101.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1596.471303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.471303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.471303 (E_RNA) where: Base-Base interactions energy: -1101.206 where: short stacking energy: -450.086 Base-Backbone interact. energy: 1.078 local terms energy: -496.343988 where: bonds (distance) C4'-P energy: -101.819 bonds (distance) P-C4' energy: -94.387 flat angles C4'-P-C4' energy: -104.701 flat angles P-C4'-P energy: -82.682 tors. eta vs tors. theta energy: -112.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -915.523424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.523424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.523424 (E_RNA) where: Base-Base interactions energy: -537.138 where: short stacking energy: -263.990 Base-Backbone interact. energy: -1.540 local terms energy: -376.845803 where: bonds (distance) C4'-P energy: -96.133 bonds (distance) P-C4' energy: -97.822 flat angles C4'-P-C4' energy: -95.625 flat angles P-C4'-P energy: -54.337 tors. eta vs tors. theta energy: -32.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2672.268886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.268886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.268886 (E_RNA) where: Base-Base interactions energy: -1908.247 where: short stacking energy: -768.721 Base-Backbone interact. energy: 0.436 local terms energy: -764.458292 where: bonds (distance) C4'-P energy: -140.020 bonds (distance) P-C4' energy: -145.995 flat angles C4'-P-C4' energy: -151.483 flat angles P-C4'-P energy: -105.406 tors. eta vs tors. theta energy: -221.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2588.373790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.373790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.373790 (E_RNA) where: Base-Base interactions energy: -1855.722 where: short stacking energy: -754.918 Base-Backbone interact. energy: -0.250 local terms energy: -732.401762 where: bonds (distance) C4'-P energy: -106.520 bonds (distance) P-C4' energy: -140.509 flat angles C4'-P-C4' energy: -155.091 flat angles P-C4'-P energy: -97.229 tors. eta vs tors. theta energy: -233.052 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: 10 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2567.324378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.324378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.324378 (E_RNA) where: Base-Base interactions energy: -1843.538 where: short stacking energy: -758.700 Base-Backbone interact. energy: -3.693 local terms energy: -720.093600 where: bonds (distance) C4'-P energy: -109.130 bonds (distance) P-C4' energy: -123.889 flat angles C4'-P-C4' energy: -154.620 flat angles P-C4'-P energy: -102.045 tors. eta vs tors. theta energy: -230.409 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: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2422.557989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.557989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.557989 (E_RNA) where: Base-Base interactions energy: -1713.032 where: short stacking energy: -707.958 Base-Backbone interact. energy: 2.398 local terms energy: -711.924083 where: bonds (distance) C4'-P energy: -131.141 bonds (distance) P-C4' energy: -116.582 flat angles C4'-P-C4' energy: -155.707 flat angles P-C4'-P energy: -91.222 tors. eta vs tors. theta energy: -217.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2337.447413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.447413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.447413 (E_RNA) where: Base-Base interactions energy: -1667.203 where: short stacking energy: -687.883 Base-Backbone interact. energy: -4.503 local terms energy: -665.740894 where: bonds (distance) C4'-P energy: -123.209 bonds (distance) P-C4' energy: -95.166 flat angles C4'-P-C4' energy: -143.073 flat angles P-C4'-P energy: -88.021 tors. eta vs tors. theta energy: -216.272 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: 6, replica: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2051.184214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.184214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.184214 (E_RNA) where: Base-Base interactions energy: -1448.852 where: short stacking energy: -601.766 Base-Backbone interact. energy: -1.049 local terms energy: -601.283043 where: bonds (distance) C4'-P energy: -123.385 bonds (distance) P-C4' energy: -89.773 flat angles C4'-P-C4' energy: -137.726 flat angles P-C4'-P energy: -81.673 tors. eta vs tors. theta energy: -168.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1845.451214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.451214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.451214 (E_RNA) where: Base-Base interactions energy: -1306.297 where: short stacking energy: -552.551 Base-Backbone interact. energy: 2.551 local terms energy: -541.705399 where: bonds (distance) C4'-P energy: -96.775 bonds (distance) P-C4' energy: -110.172 flat angles C4'-P-C4' energy: -103.775 flat angles P-C4'-P energy: -87.564 tors. eta vs tors. theta energy: -143.420 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: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1696.106657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.106657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.106657 (E_RNA) where: Base-Base interactions energy: -1210.438 where: short stacking energy: -485.205 Base-Backbone interact. energy: 0.279 local terms energy: -485.947481 where: bonds (distance) C4'-P energy: -104.248 bonds (distance) P-C4' energy: -82.351 flat angles C4'-P-C4' energy: -131.010 flat angles P-C4'-P energy: -60.387 tors. eta vs tors. theta energy: -107.952 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: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1608.410926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.410926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.410926 (E_RNA) where: Base-Base interactions energy: -1080.473 where: short stacking energy: -455.476 Base-Backbone interact. energy: -2.682 local terms energy: -525.256187 where: bonds (distance) C4'-P energy: -117.070 bonds (distance) P-C4' energy: -100.028 flat angles C4'-P-C4' energy: -117.854 flat angles P-C4'-P energy: -66.704 tors. eta vs tors. theta energy: -123.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -997.161801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.161801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.161801 (E_RNA) where: Base-Base interactions energy: -592.771 where: short stacking energy: -285.000 Base-Backbone interact. energy: 8.269 local terms energy: -412.659375 where: bonds (distance) C4'-P energy: -114.353 bonds (distance) P-C4' energy: -109.369 flat angles C4'-P-C4' energy: -80.090 flat angles P-C4'-P energy: -61.017 tors. eta vs tors. theta energy: -47.830 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: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2672.131684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.131684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.131684 (E_RNA) where: Base-Base interactions energy: -1914.182 where: short stacking energy: -765.707 Base-Backbone interact. energy: -3.168 local terms energy: -754.781301 where: bonds (distance) C4'-P energy: -148.901 bonds (distance) P-C4' energy: -130.311 flat angles C4'-P-C4' energy: -152.081 flat angles P-C4'-P energy: -95.361 tors. eta vs tors. theta energy: -228.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2579.667711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.667711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.667711 (E_RNA) where: Base-Base interactions energy: -1818.936 where: short stacking energy: -742.564 Base-Backbone interact. energy: -0.084 local terms energy: -760.647414 where: bonds (distance) C4'-P energy: -132.432 bonds (distance) P-C4' energy: -132.806 flat angles C4'-P-C4' energy: -160.013 flat angles P-C4'-P energy: -112.634 tors. eta vs tors. theta energy: -222.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2558.685566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.685566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.685566 (E_RNA) where: Base-Base interactions energy: -1802.394 where: short stacking energy: -745.459 Base-Backbone interact. energy: -3.436 local terms energy: -752.856123 where: bonds (distance) C4'-P energy: -138.149 bonds (distance) P-C4' energy: -114.087 flat angles C4'-P-C4' energy: -153.842 flat angles P-C4'-P energy: -115.476 tors. eta vs tors. theta energy: -231.302 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: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2439.095438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.095438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.095438 (E_RNA) where: Base-Base interactions energy: -1702.265 where: short stacking energy: -710.985 Base-Backbone interact. energy: -1.159 local terms energy: -735.671128 where: bonds (distance) C4'-P energy: -114.518 bonds (distance) P-C4' energy: -134.766 flat angles C4'-P-C4' energy: -158.817 flat angles P-C4'-P energy: -115.222 tors. eta vs tors. theta energy: -212.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2341.670288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.670288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.670288 (E_RNA) where: Base-Base interactions energy: -1652.010 where: short stacking energy: -662.921 Base-Backbone interact. energy: -2.315 local terms energy: -687.346075 where: bonds (distance) C4'-P energy: -123.296 bonds (distance) P-C4' energy: -123.521 flat angles C4'-P-C4' energy: -141.931 flat angles P-C4'-P energy: -91.036 tors. eta vs tors. theta energy: -207.563 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: 214 Temperature: 1.150000 Total energy: -2062.656499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.656499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.656499 (E_RNA) where: Base-Base interactions energy: -1432.148 where: short stacking energy: -593.914 Base-Backbone interact. energy: -0.555 local terms energy: -629.953695 where: bonds (distance) C4'-P energy: -124.436 bonds (distance) P-C4' energy: -110.509 flat angles C4'-P-C4' energy: -123.351 flat angles P-C4'-P energy: -90.203 tors. eta vs tors. theta energy: -181.455 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: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1801.402937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.402937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.402937 (E_RNA) where: Base-Base interactions energy: -1251.611 where: short stacking energy: -567.252 Base-Backbone interact. energy: -0.913 local terms energy: -548.879477 where: bonds (distance) C4'-P energy: -101.492 bonds (distance) P-C4' energy: -112.879 flat angles C4'-P-C4' energy: -115.905 flat angles P-C4'-P energy: -78.963 tors. eta vs tors. theta energy: -139.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1779.914182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.914182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.914182 (E_RNA) where: Base-Base interactions energy: -1204.815 where: short stacking energy: -494.923 Base-Backbone interact. energy: 0.568 local terms energy: -575.667646 where: bonds (distance) C4'-P energy: -123.012 bonds (distance) P-C4' energy: -113.980 flat angles C4'-P-C4' energy: -128.760 flat angles P-C4'-P energy: -81.944 tors. eta vs tors. theta energy: -127.972 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: 214 Temperature: 1.300000 Total energy: -1567.170769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.170769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.170769 (E_RNA) where: Base-Base interactions energy: -1062.665 where: short stacking energy: -469.052 Base-Backbone interact. energy: -1.498 local terms energy: -503.008420 where: bonds (distance) C4'-P energy: -108.769 bonds (distance) P-C4' energy: -113.465 flat angles C4'-P-C4' energy: -111.336 flat angles P-C4'-P energy: -59.698 tors. eta vs tors. theta energy: -109.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -948.340729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.340729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.340729 (E_RNA) where: Base-Base interactions energy: -591.928 where: short stacking energy: -280.978 Base-Backbone interact. energy: -4.769 local terms energy: -351.643761 where: bonds (distance) C4'-P energy: -72.347 bonds (distance) P-C4' energy: -124.367 flat angles C4'-P-C4' energy: -87.480 flat angles P-C4'-P energy: -46.471 tors. eta vs tors. theta energy: -20.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2664.506465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.506465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.506465 (E_RNA) where: Base-Base interactions energy: -1930.340 where: short stacking energy: -783.048 Base-Backbone interact. energy: -2.999 local terms energy: -731.167064 where: bonds (distance) C4'-P energy: -121.407 bonds (distance) P-C4' energy: -123.461 flat angles C4'-P-C4' energy: -160.656 flat angles P-C4'-P energy: -99.601 tors. eta vs tors. theta energy: -226.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2584.751530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.751530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.751530 (E_RNA) where: Base-Base interactions energy: -1841.724 where: short stacking energy: -760.066 Base-Backbone interact. energy: -1.092 local terms energy: -741.935963 where: bonds (distance) C4'-P energy: -124.729 bonds (distance) P-C4' energy: -126.823 flat angles C4'-P-C4' energy: -154.920 flat angles P-C4'-P energy: -101.386 tors. eta vs tors. theta energy: -234.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2515.229887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.229887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.229887 (E_RNA) where: Base-Base interactions energy: -1776.123 where: short stacking energy: -721.893 Base-Backbone interact. energy: -2.772 local terms energy: -736.334855 where: bonds (distance) C4'-P energy: -120.291 bonds (distance) P-C4' energy: -123.589 flat angles C4'-P-C4' energy: -156.732 flat angles P-C4'-P energy: -117.561 tors. eta vs tors. theta energy: -218.162 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: 215 Temperature: 1.050000 Total energy: -2459.160435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.160435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.160435 (E_RNA) where: Base-Base interactions energy: -1747.333 where: short stacking energy: -739.533 Base-Backbone interact. energy: 0.660 local terms energy: -712.487760 where: bonds (distance) C4'-P energy: -123.209 bonds (distance) P-C4' energy: -123.205 flat angles C4'-P-C4' energy: -143.213 flat angles P-C4'-P energy: -99.253 tors. eta vs tors. theta energy: -223.607 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: 2 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2345.945003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.945003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.945003 (E_RNA) where: Base-Base interactions energy: -1682.382 where: short stacking energy: -703.123 Base-Backbone interact. energy: -2.801 local terms energy: -660.762106 where: bonds (distance) C4'-P energy: -103.463 bonds (distance) P-C4' energy: -108.664 flat angles C4'-P-C4' energy: -138.663 flat angles P-C4'-P energy: -87.742 tors. eta vs tors. theta energy: -222.230 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: 7 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1988.120513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.120513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.120513 (E_RNA) where: Base-Base interactions energy: -1356.633 where: short stacking energy: -580.832 Base-Backbone interact. energy: -2.226 local terms energy: -629.262284 where: bonds (distance) C4'-P energy: -134.952 bonds (distance) P-C4' energy: -119.956 flat angles C4'-P-C4' energy: -136.228 flat angles P-C4'-P energy: -83.332 tors. eta vs tors. theta energy: -154.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1858.979060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.979060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.979060 (E_RNA) where: Base-Base interactions energy: -1240.546 where: short stacking energy: -541.538 Base-Backbone interact. energy: -2.196 local terms energy: -616.236927 where: bonds (distance) C4'-P energy: -119.223 bonds (distance) P-C4' energy: -133.315 flat angles C4'-P-C4' energy: -136.388 flat angles P-C4'-P energy: -78.431 tors. eta vs tors. theta energy: -148.880 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: 4 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1736.668029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.668029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.668029 (E_RNA) where: Base-Base interactions energy: -1213.903 where: short stacking energy: -507.349 Base-Backbone interact. energy: 11.710 local terms energy: -534.474794 where: bonds (distance) C4'-P energy: -101.141 bonds (distance) P-C4' energy: -128.166 flat angles C4'-P-C4' energy: -119.021 flat angles P-C4'-P energy: -69.555 tors. eta vs tors. theta energy: -116.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1542.525226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.525226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.525226 (E_RNA) where: Base-Base interactions energy: -1047.172 where: short stacking energy: -493.550 Base-Backbone interact. energy: -2.402 local terms energy: -492.950370 where: bonds (distance) C4'-P energy: -96.945 bonds (distance) P-C4' energy: -110.490 flat angles C4'-P-C4' energy: -101.019 flat angles P-C4'-P energy: -72.597 tors. eta vs tors. theta energy: -111.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1000.216407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.216407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.216407 (E_RNA) where: Base-Base interactions energy: -593.796 where: short stacking energy: -303.855 Base-Backbone interact. energy: -4.015 local terms energy: -402.405254 where: bonds (distance) C4'-P energy: -105.266 bonds (distance) P-C4' energy: -118.012 flat angles C4'-P-C4' energy: -93.204 flat angles P-C4'-P energy: -47.899 tors. eta vs tors. theta energy: -38.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2650.147332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.147332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.147332 (E_RNA) where: Base-Base interactions energy: -1893.978 where: short stacking energy: -755.015 Base-Backbone interact. energy: -3.361 local terms energy: -752.809080 where: bonds (distance) C4'-P energy: -131.267 bonds (distance) P-C4' energy: -133.922 flat angles C4'-P-C4' energy: -162.333 flat angles P-C4'-P energy: -91.817 tors. eta vs tors. theta energy: -233.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2574.407662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.407662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.407662 (E_RNA) where: Base-Base interactions energy: -1829.025 where: short stacking energy: -731.591 Base-Backbone interact. energy: -2.635 local terms energy: -742.747637 where: bonds (distance) C4'-P energy: -129.598 bonds (distance) P-C4' energy: -139.739 flat angles C4'-P-C4' energy: -150.268 flat angles P-C4'-P energy: -103.894 tors. eta vs tors. theta energy: -219.249 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: 216 Temperature: 1.000000 Total energy: -2544.552665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.552665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.552665 (E_RNA) where: Base-Base interactions energy: -1792.719 where: short stacking energy: -716.793 Base-Backbone interact. energy: -2.262 local terms energy: -749.571602 where: bonds (distance) C4'-P energy: -127.117 bonds (distance) P-C4' energy: -136.486 flat angles C4'-P-C4' energy: -160.954 flat angles P-C4'-P energy: -103.047 tors. eta vs tors. theta energy: -221.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2459.935768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.935768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.935768 (E_RNA) where: Base-Base interactions energy: -1730.222 where: short stacking energy: -705.705 Base-Backbone interact. energy: 0.876 local terms energy: -730.589847 where: bonds (distance) C4'-P energy: -132.969 bonds (distance) P-C4' energy: -117.668 flat angles C4'-P-C4' energy: -152.678 flat angles P-C4'-P energy: -108.192 tors. eta vs tors. theta energy: -219.084 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: 216 Temperature: 1.100000 Total energy: -2334.597292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.597292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.597292 (E_RNA) where: Base-Base interactions energy: -1654.425 where: short stacking energy: -669.110 Base-Backbone interact. energy: -2.959 local terms energy: -677.213017 where: bonds (distance) C4'-P energy: -111.766 bonds (distance) P-C4' energy: -129.797 flat angles C4'-P-C4' energy: -137.023 flat angles P-C4'-P energy: -91.325 tors. eta vs tors. theta energy: -207.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2027.777377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.777377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.777377 (E_RNA) where: Base-Base interactions energy: -1413.263 where: short stacking energy: -582.432 Base-Backbone interact. energy: -1.502 local terms energy: -613.011874 where: bonds (distance) C4'-P energy: -115.739 bonds (distance) P-C4' energy: -112.759 flat angles C4'-P-C4' energy: -146.729 flat angles P-C4'-P energy: -83.654 tors. eta vs tors. theta energy: -154.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1814.413909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.413909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.413909 (E_RNA) where: Base-Base interactions energy: -1269.449 where: short stacking energy: -530.730 Base-Backbone interact. energy: -1.836 local terms energy: -543.128850 where: bonds (distance) C4'-P energy: -99.330 bonds (distance) P-C4' energy: -121.600 flat angles C4'-P-C4' energy: -115.377 flat angles P-C4'-P energy: -81.350 tors. eta vs tors. theta energy: -125.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1737.770752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.770752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.770752 (E_RNA) where: Base-Base interactions energy: -1173.779 where: short stacking energy: -531.119 Base-Backbone interact. energy: 2.217 local terms energy: -566.208968 where: bonds (distance) C4'-P energy: -118.371 bonds (distance) P-C4' energy: -111.442 flat angles C4'-P-C4' energy: -120.499 flat angles P-C4'-P energy: -88.105 tors. eta vs tors. theta energy: -127.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1522.655928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.655928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.655928 (E_RNA) where: Base-Base interactions energy: -998.805 where: short stacking energy: -439.084 Base-Backbone interact. energy: -0.736 local terms energy: -523.114746 where: bonds (distance) C4'-P energy: -96.095 bonds (distance) P-C4' energy: -118.369 flat angles C4'-P-C4' energy: -120.546 flat angles P-C4'-P energy: -82.167 tors. eta vs tors. theta energy: -105.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -985.669597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.669597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.669597 (E_RNA) where: Base-Base interactions energy: -594.542 where: short stacking energy: -282.307 Base-Backbone interact. energy: 1.373 local terms energy: -392.500914 where: bonds (distance) C4'-P energy: -99.785 bonds (distance) P-C4' energy: -112.204 flat angles C4'-P-C4' energy: -89.678 flat angles P-C4'-P energy: -56.488 tors. eta vs tors. theta energy: -34.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2633.191720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.191720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.191720 (E_RNA) where: Base-Base interactions energy: -1889.722 where: short stacking energy: -776.764 Base-Backbone interact. energy: -0.853 local terms energy: -742.616596 where: bonds (distance) C4'-P energy: -116.588 bonds (distance) P-C4' energy: -135.484 flat angles C4'-P-C4' energy: -163.611 flat angles P-C4'-P energy: -106.852 tors. eta vs tors. theta energy: -220.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2572.372489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.372489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.372489 (E_RNA) where: Base-Base interactions energy: -1820.841 where: short stacking energy: -773.348 Base-Backbone interact. energy: -2.799 local terms energy: -748.731803 where: bonds (distance) C4'-P energy: -129.655 bonds (distance) P-C4' energy: -124.404 flat angles C4'-P-C4' energy: -157.273 flat angles P-C4'-P energy: -100.702 tors. eta vs tors. theta energy: -236.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2553.191330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.191330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.191330 (E_RNA) where: Base-Base interactions energy: -1830.131 where: short stacking energy: -740.946 Base-Backbone interact. energy: -4.054 local terms energy: -719.006403 where: bonds (distance) C4'-P energy: -118.039 bonds (distance) P-C4' energy: -120.060 flat angles C4'-P-C4' energy: -155.456 flat angles P-C4'-P energy: -101.012 tors. eta vs tors. theta energy: -224.439 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: 9 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2480.312281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.312281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.312281 (E_RNA) where: Base-Base interactions energy: -1752.636 where: short stacking energy: -719.218 Base-Backbone interact. energy: -2.034 local terms energy: -725.643104 where: bonds (distance) C4'-P energy: -125.465 bonds (distance) P-C4' energy: -114.656 flat angles C4'-P-C4' energy: -149.001 flat angles P-C4'-P energy: -113.204 tors. eta vs tors. theta energy: -223.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2311.682788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.682788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.682788 (E_RNA) where: Base-Base interactions energy: -1645.952 where: short stacking energy: -681.996 Base-Backbone interact. energy: -3.244 local terms energy: -662.486452 where: bonds (distance) C4'-P energy: -107.644 bonds (distance) P-C4' energy: -109.940 flat angles C4'-P-C4' energy: -139.053 flat angles P-C4'-P energy: -104.124 tors. eta vs tors. theta energy: -201.726 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: 7 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1991.763142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.763142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.763142 (E_RNA) where: Base-Base interactions energy: -1368.484 where: short stacking energy: -587.642 Base-Backbone interact. energy: -2.529 local terms energy: -620.750106 where: bonds (distance) C4'-P energy: -99.639 bonds (distance) P-C4' energy: -109.911 flat angles C4'-P-C4' energy: -143.492 flat angles P-C4'-P energy: -98.537 tors. eta vs tors. theta energy: -169.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1923.752136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.752136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.752136 (E_RNA) where: Base-Base interactions energy: -1336.260 where: short stacking energy: -564.481 Base-Backbone interact. energy: -1.961 local terms energy: -585.530961 where: bonds (distance) C4'-P energy: -116.672 bonds (distance) P-C4' energy: -108.522 flat angles C4'-P-C4' energy: -124.283 flat angles P-C4'-P energy: -89.278 tors. eta vs tors. theta energy: -146.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1795.683227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.683227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.683227 (E_RNA) where: Base-Base interactions energy: -1237.581 where: short stacking energy: -522.198 Base-Backbone interact. energy: 3.591 local terms energy: -561.692500 where: bonds (distance) C4'-P energy: -113.037 bonds (distance) P-C4' energy: -112.368 flat angles C4'-P-C4' energy: -113.482 flat angles P-C4'-P energy: -75.222 tors. eta vs tors. theta energy: -147.584 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: 9, replica: 3 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1392.516483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.516483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.516483 (E_RNA) where: Base-Base interactions energy: -911.963 where: short stacking energy: -402.888 Base-Backbone interact. energy: -2.240 local terms energy: -478.313354 where: bonds (distance) C4'-P energy: -118.529 bonds (distance) P-C4' energy: -103.398 flat angles C4'-P-C4' energy: -111.733 flat angles P-C4'-P energy: -83.488 tors. eta vs tors. theta energy: -61.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -901.479841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.479841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.479841 (E_RNA) where: Base-Base interactions energy: -524.600 where: short stacking energy: -257.210 Base-Backbone interact. energy: 3.580 local terms energy: -380.460236 where: bonds (distance) C4'-P energy: -93.818 bonds (distance) P-C4' energy: -121.552 flat angles C4'-P-C4' energy: -92.280 flat angles P-C4'-P energy: -60.599 tors. eta vs tors. theta energy: -12.212 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: 8 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2685.111834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.111834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.111834 (E_RNA) where: Base-Base interactions energy: -1938.230 where: short stacking energy: -793.027 Base-Backbone interact. energy: -2.822 local terms energy: -744.059438 where: bonds (distance) C4'-P energy: -134.934 bonds (distance) P-C4' energy: -121.408 flat angles C4'-P-C4' energy: -149.856 flat angles P-C4'-P energy: -108.731 tors. eta vs tors. theta energy: -229.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2599.036423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.036423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.036423 (E_RNA) where: Base-Base interactions energy: -1845.635 where: short stacking energy: -752.772 Base-Backbone interact. energy: -1.277 local terms energy: -752.123893 where: bonds (distance) C4'-P energy: -122.874 bonds (distance) P-C4' energy: -123.556 flat angles C4'-P-C4' energy: -164.994 flat angles P-C4'-P energy: -105.105 tors. eta vs tors. theta energy: -235.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2536.563445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.563445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.563445 (E_RNA) where: Base-Base interactions energy: -1804.498 where: short stacking energy: -749.233 Base-Backbone interact. energy: -2.739 local terms energy: -729.326186 where: bonds (distance) C4'-P energy: -122.979 bonds (distance) P-C4' energy: -118.485 flat angles C4'-P-C4' energy: -156.548 flat angles P-C4'-P energy: -110.402 tors. eta vs tors. theta energy: -220.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2472.710975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.710975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.710975 (E_RNA) where: Base-Base interactions energy: -1741.274 where: short stacking energy: -737.406 Base-Backbone interact. energy: 2.188 local terms energy: -733.625791 where: bonds (distance) C4'-P energy: -127.248 bonds (distance) P-C4' energy: -119.604 flat angles C4'-P-C4' energy: -153.280 flat angles P-C4'-P energy: -104.376 tors. eta vs tors. theta energy: -229.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2297.192315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.192315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.192315 (E_RNA) where: Base-Base interactions energy: -1634.890 where: short stacking energy: -655.091 Base-Backbone interact. energy: -4.808 local terms energy: -657.494834 where: bonds (distance) C4'-P energy: -113.998 bonds (distance) P-C4' energy: -112.433 flat angles C4'-P-C4' energy: -133.904 flat angles P-C4'-P energy: -97.040 tors. eta vs tors. theta energy: -200.119 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: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2017.895606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.895606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.895606 (E_RNA) where: Base-Base interactions energy: -1403.704 where: short stacking energy: -602.642 Base-Backbone interact. energy: 0.201 local terms energy: -614.392741 where: bonds (distance) C4'-P energy: -111.027 bonds (distance) P-C4' energy: -109.692 flat angles C4'-P-C4' energy: -130.970 flat angles P-C4'-P energy: -77.425 tors. eta vs tors. theta energy: -185.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1924.982502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.982502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.982502 (E_RNA) where: Base-Base interactions energy: -1329.472 where: short stacking energy: -567.825 Base-Backbone interact. energy: 0.369 local terms energy: -595.878913 where: bonds (distance) C4'-P energy: -110.141 bonds (distance) P-C4' energy: -115.220 flat angles C4'-P-C4' energy: -123.472 flat angles P-C4'-P energy: -86.421 tors. eta vs tors. theta energy: -160.625 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: 8, replica: 5 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1770.491687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.491687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.491687 (E_RNA) where: Base-Base interactions energy: -1182.299 where: short stacking energy: -515.051 Base-Backbone interact. energy: 0.041 local terms energy: -588.233638 where: bonds (distance) C4'-P energy: -108.583 bonds (distance) P-C4' energy: -109.346 flat angles C4'-P-C4' energy: -140.120 flat angles P-C4'-P energy: -76.391 tors. eta vs tors. theta energy: -153.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1444.699242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.699242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.699242 (E_RNA) where: Base-Base interactions energy: -937.576 where: short stacking energy: -422.619 Base-Backbone interact. energy: 2.222 local terms energy: -509.345488 where: bonds (distance) C4'-P energy: -112.259 bonds (distance) P-C4' energy: -132.304 flat angles C4'-P-C4' energy: -101.122 flat angles P-C4'-P energy: -78.287 tors. eta vs tors. theta energy: -85.374 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: 6 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -993.440331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.440331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.440331 (E_RNA) where: Base-Base interactions energy: -593.286 where: short stacking energy: -299.249 Base-Backbone interact. energy: -2.385 local terms energy: -397.769271 where: bonds (distance) C4'-P energy: -92.709 bonds (distance) P-C4' energy: -98.526 flat angles C4'-P-C4' energy: -91.530 flat angles P-C4'-P energy: -74.786 tors. eta vs tors. theta energy: -40.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2657.359179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.359179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.359179 (E_RNA) where: Base-Base interactions energy: -1893.099 where: short stacking energy: -787.563 Base-Backbone interact. energy: -1.771 local terms energy: -762.488407 where: bonds (distance) C4'-P energy: -137.637 bonds (distance) P-C4' energy: -124.321 flat angles C4'-P-C4' energy: -163.926 flat angles P-C4'-P energy: -103.270 tors. eta vs tors. theta energy: -233.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2583.217322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.217322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.217322 (E_RNA) where: Base-Base interactions energy: -1826.544 where: short stacking energy: -766.715 Base-Backbone interact. energy: 0.041 local terms energy: -756.713389 where: bonds (distance) C4'-P energy: -126.148 bonds (distance) P-C4' energy: -131.180 flat angles C4'-P-C4' energy: -151.808 flat angles P-C4'-P energy: -119.036 tors. eta vs tors. theta energy: -228.541 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: 3, replica: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2553.396347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.396347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.396347 (E_RNA) where: Base-Base interactions energy: -1842.802 where: short stacking energy: -745.417 Base-Backbone interact. energy: -2.469 local terms energy: -708.126113 where: bonds (distance) C4'-P energy: -121.448 bonds (distance) P-C4' energy: -120.505 flat angles C4'-P-C4' energy: -150.103 flat angles P-C4'-P energy: -82.245 tors. eta vs tors. theta energy: -233.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2451.474629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.474629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.474629 (E_RNA) where: Base-Base interactions energy: -1736.294 where: short stacking energy: -698.977 Base-Backbone interact. energy: 0.361 local terms energy: -715.540928 where: bonds (distance) C4'-P energy: -136.276 bonds (distance) P-C4' energy: -128.072 flat angles C4'-P-C4' energy: -141.533 flat angles P-C4'-P energy: -95.608 tors. eta vs tors. theta energy: -214.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2300.652398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.652398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.652398 (E_RNA) where: Base-Base interactions energy: -1620.915 where: short stacking energy: -667.978 Base-Backbone interact. energy: -3.157 local terms energy: -676.580491 where: bonds (distance) C4'-P energy: -111.441 bonds (distance) P-C4' energy: -121.185 flat angles C4'-P-C4' energy: -147.602 flat angles P-C4'-P energy: -95.339 tors. eta vs tors. theta energy: -201.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2029.855566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.855566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.855566 (E_RNA) where: Base-Base interactions energy: -1394.746 where: short stacking energy: -582.364 Base-Backbone interact. energy: -2.063 local terms energy: -633.045722 where: bonds (distance) C4'-P energy: -108.651 bonds (distance) P-C4' energy: -117.258 flat angles C4'-P-C4' energy: -138.735 flat angles P-C4'-P energy: -100.253 tors. eta vs tors. theta energy: -168.148 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: 4 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1919.754928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.754928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.754928 (E_RNA) where: Base-Base interactions energy: -1313.802 where: short stacking energy: -561.327 Base-Backbone interact. energy: -1.503 local terms energy: -604.450187 where: bonds (distance) C4'-P energy: -114.862 bonds (distance) P-C4' energy: -115.889 flat angles C4'-P-C4' energy: -137.465 flat angles P-C4'-P energy: -87.864 tors. eta vs tors. theta energy: -148.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1713.048754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.048754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.048754 (E_RNA) where: Base-Base interactions energy: -1143.175 where: short stacking energy: -459.990 Base-Backbone interact. energy: -0.566 local terms energy: -569.308375 where: bonds (distance) C4'-P energy: -129.230 bonds (distance) P-C4' energy: -109.535 flat angles C4'-P-C4' energy: -123.871 flat angles P-C4'-P energy: -70.049 tors. eta vs tors. theta energy: -136.623 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: 9, replica: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1545.513010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.513010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.513010 (E_RNA) where: Base-Base interactions energy: -1037.082 where: short stacking energy: -453.565 Base-Backbone interact. energy: -2.543 local terms energy: -505.887322 where: bonds (distance) C4'-P energy: -113.629 bonds (distance) P-C4' energy: -97.164 flat angles C4'-P-C4' energy: -114.459 flat angles P-C4'-P energy: -78.582 tors. eta vs tors. theta energy: -102.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -1004.276542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.276542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.276542 (E_RNA) where: Base-Base interactions energy: -638.593 where: short stacking energy: -274.866 Base-Backbone interact. energy: 2.314 local terms energy: -367.998075 where: bonds (distance) C4'-P energy: -97.766 bonds (distance) P-C4' energy: -106.806 flat angles C4'-P-C4' energy: -83.534 flat angles P-C4'-P energy: -49.489 tors. eta vs tors. theta energy: -30.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2644.940096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.940096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.940096 (E_RNA) where: Base-Base interactions energy: -1901.089 where: short stacking energy: -783.659 Base-Backbone interact. energy: 0.108 local terms energy: -743.958501 where: bonds (distance) C4'-P energy: -131.702 bonds (distance) P-C4' energy: -117.399 flat angles C4'-P-C4' energy: -154.834 flat angles P-C4'-P energy: -104.487 tors. eta vs tors. theta energy: -235.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2598.926633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.926633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.926633 (E_RNA) where: Base-Base interactions energy: -1833.320 where: short stacking energy: -767.363 Base-Backbone interact. energy: -1.670 local terms energy: -763.936668 where: bonds (distance) C4'-P energy: -129.416 bonds (distance) P-C4' energy: -135.916 flat angles C4'-P-C4' energy: -163.117 flat angles P-C4'-P energy: -101.039 tors. eta vs tors. theta energy: -234.448 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: 3, replica: 10 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2553.016017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.016017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.016017 (E_RNA) where: Base-Base interactions energy: -1814.416 where: short stacking energy: -743.611 Base-Backbone interact. energy: 0.319 local terms energy: -738.919053 where: bonds (distance) C4'-P energy: -126.537 bonds (distance) P-C4' energy: -111.728 flat angles C4'-P-C4' energy: -159.151 flat angles P-C4'-P energy: -112.192 tors. eta vs tors. theta energy: -229.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2459.728715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.728715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.728715 (E_RNA) where: Base-Base interactions energy: -1749.254 where: short stacking energy: -702.539 Base-Backbone interact. energy: -4.558 local terms energy: -705.916689 where: bonds (distance) C4'-P energy: -111.780 bonds (distance) P-C4' energy: -118.148 flat angles C4'-P-C4' energy: -147.367 flat angles P-C4'-P energy: -108.095 tors. eta vs tors. theta energy: -220.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2298.158562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.158562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.158562 (E_RNA) where: Base-Base interactions energy: -1615.174 where: short stacking energy: -675.664 Base-Backbone interact. energy: 2.842 local terms energy: -685.826323 where: bonds (distance) C4'-P energy: -111.210 bonds (distance) P-C4' energy: -126.483 flat angles C4'-P-C4' energy: -147.153 flat angles P-C4'-P energy: -94.478 tors. eta vs tors. theta energy: -206.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2027.281258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.281258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.281258 (E_RNA) where: Base-Base interactions energy: -1412.905 where: short stacking energy: -587.354 Base-Backbone interact. energy: 0.518 local terms energy: -614.894161 where: bonds (distance) C4'-P energy: -122.449 bonds (distance) P-C4' energy: -105.142 flat angles C4'-P-C4' energy: -132.716 flat angles P-C4'-P energy: -89.328 tors. eta vs tors. theta energy: -165.259 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: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1893.947806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.947806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.947806 (E_RNA) where: Base-Base interactions energy: -1307.133 where: short stacking energy: -548.627 Base-Backbone interact. energy: -2.861 local terms energy: -583.953223 where: bonds (distance) C4'-P energy: -113.146 bonds (distance) P-C4' energy: -127.974 flat angles C4'-P-C4' energy: -121.274 flat angles P-C4'-P energy: -79.790 tors. eta vs tors. theta energy: -141.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1609.775157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.775157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.775157 (E_RNA) where: Base-Base interactions energy: -1072.222 where: short stacking energy: -449.643 Base-Backbone interact. energy: -1.925 local terms energy: -535.628229 where: bonds (distance) C4'-P energy: -114.032 bonds (distance) P-C4' energy: -109.772 flat angles C4'-P-C4' energy: -127.023 flat angles P-C4'-P energy: -78.633 tors. eta vs tors. theta energy: -106.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1505.253581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.253581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.253581 (E_RNA) where: Base-Base interactions energy: -1016.766 where: short stacking energy: -452.107 Base-Backbone interact. energy: -1.789 local terms energy: -486.698159 where: bonds (distance) C4'-P energy: -101.135 bonds (distance) P-C4' energy: -107.310 flat angles C4'-P-C4' energy: -112.671 flat angles P-C4'-P energy: -74.416 tors. eta vs tors. theta energy: -91.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1056.217117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.217117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.217117 (E_RNA) where: Base-Base interactions energy: -614.983 where: short stacking energy: -300.038 Base-Backbone interact. energy: -3.138 local terms energy: -438.096466 where: bonds (distance) C4'-P energy: -98.202 bonds (distance) P-C4' energy: -105.585 flat angles C4'-P-C4' energy: -115.665 flat angles P-C4'-P energy: -68.515 tors. eta vs tors. theta energy: -50.130 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: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2663.165193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.165193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.165193 (E_RNA) where: Base-Base interactions energy: -1906.833 where: short stacking energy: -779.313 Base-Backbone interact. energy: -2.033 local terms energy: -754.299353 where: bonds (distance) C4'-P energy: -123.761 bonds (distance) P-C4' energy: -131.760 flat angles C4'-P-C4' energy: -145.091 flat angles P-C4'-P energy: -118.448 tors. eta vs tors. theta energy: -235.239 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: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2596.852130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.852130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.852130 (E_RNA) where: Base-Base interactions energy: -1831.275 where: short stacking energy: -759.852 Base-Backbone interact. energy: -0.081 local terms energy: -765.496779 where: bonds (distance) C4'-P energy: -133.673 bonds (distance) P-C4' energy: -139.352 flat angles C4'-P-C4' energy: -153.625 flat angles P-C4'-P energy: -106.846 tors. eta vs tors. theta energy: -232.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2535.923250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.923250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.923250 (E_RNA) where: Base-Base interactions energy: -1776.720 where: short stacking energy: -737.063 Base-Backbone interact. energy: -1.327 local terms energy: -757.875337 where: bonds (distance) C4'-P energy: -133.236 bonds (distance) P-C4' energy: -122.555 flat angles C4'-P-C4' energy: -153.482 flat angles P-C4'-P energy: -111.654 tors. eta vs tors. theta energy: -236.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2433.486089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.486089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.486089 (E_RNA) where: Base-Base interactions energy: -1711.084 where: short stacking energy: -683.383 Base-Backbone interact. energy: -2.567 local terms energy: -719.834628 where: bonds (distance) C4'-P energy: -125.855 bonds (distance) P-C4' energy: -125.003 flat angles C4'-P-C4' energy: -146.333 flat angles P-C4'-P energy: -108.803 tors. eta vs tors. theta energy: -213.840 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: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2327.154219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.154219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.154219 (E_RNA) where: Base-Base interactions energy: -1664.858 where: short stacking energy: -691.570 Base-Backbone interact. energy: -2.468 local terms energy: -659.828392 where: bonds (distance) C4'-P energy: -118.273 bonds (distance) P-C4' energy: -122.490 flat angles C4'-P-C4' energy: -126.735 flat angles P-C4'-P energy: -81.422 tors. eta vs tors. theta energy: -210.908 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: 7 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2014.862257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.862257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.862257 (E_RNA) where: Base-Base interactions energy: -1387.974 where: short stacking energy: -592.512 Base-Backbone interact. energy: 0.986 local terms energy: -627.874888 where: bonds (distance) C4'-P energy: -99.637 bonds (distance) P-C4' energy: -112.917 flat angles C4'-P-C4' energy: -137.500 flat angles P-C4'-P energy: -89.670 tors. eta vs tors. theta energy: -188.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1897.312653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.312653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.312653 (E_RNA) where: Base-Base interactions energy: -1298.896 where: short stacking energy: -527.266 Base-Backbone interact. energy: -4.151 local terms energy: -594.265365 where: bonds (distance) C4'-P energy: -101.983 bonds (distance) P-C4' energy: -128.016 flat angles C4'-P-C4' energy: -140.360 flat angles P-C4'-P energy: -83.335 tors. eta vs tors. theta energy: -140.572 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: 5 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1633.867743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.867743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.867743 (E_RNA) where: Base-Base interactions energy: -1098.443 where: short stacking energy: -478.175 Base-Backbone interact. energy: -4.246 local terms energy: -531.178985 where: bonds (distance) C4'-P energy: -102.423 bonds (distance) P-C4' energy: -109.689 flat angles C4'-P-C4' energy: -122.821 flat angles P-C4'-P energy: -77.075 tors. eta vs tors. theta energy: -119.171 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: 221 Temperature: 1.300000 Total energy: -1448.306840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.306840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.306840 (E_RNA) where: Base-Base interactions energy: -945.368 where: short stacking energy: -400.364 Base-Backbone interact. energy: 0.832 local terms energy: -503.771497 where: bonds (distance) C4'-P energy: -107.314 bonds (distance) P-C4' energy: -114.182 flat angles C4'-P-C4' energy: -115.594 flat angles P-C4'-P energy: -76.181 tors. eta vs tors. theta energy: -90.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1074.804123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.804123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.804123 (E_RNA) where: Base-Base interactions energy: -618.049 where: short stacking energy: -288.174 Base-Backbone interact. energy: 5.694 local terms energy: -462.448943 where: bonds (distance) C4'-P energy: -109.945 bonds (distance) P-C4' energy: -100.274 flat angles C4'-P-C4' energy: -118.637 flat angles P-C4'-P energy: -81.507 tors. eta vs tors. theta energy: -52.086 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: 8 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2673.992334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.992334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.992334 (E_RNA) where: Base-Base interactions energy: -1913.660 where: short stacking energy: -749.052 Base-Backbone interact. energy: 1.110 local terms energy: -761.442973 where: bonds (distance) C4'-P energy: -139.638 bonds (distance) P-C4' energy: -132.417 flat angles C4'-P-C4' energy: -158.666 flat angles P-C4'-P energy: -109.471 tors. eta vs tors. theta energy: -221.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2592.985521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.985521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.985521 (E_RNA) where: Base-Base interactions energy: -1822.962 where: short stacking energy: -735.997 Base-Backbone interact. energy: 0.851 local terms energy: -770.874035 where: bonds (distance) C4'-P energy: -147.380 bonds (distance) P-C4' energy: -129.831 flat angles C4'-P-C4' energy: -163.658 flat angles P-C4'-P energy: -104.606 tors. eta vs tors. theta energy: -225.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2514.670145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.670145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.670145 (E_RNA) where: Base-Base interactions energy: -1796.328 where: short stacking energy: -727.433 Base-Backbone interact. energy: -0.503 local terms energy: -717.839497 where: bonds (distance) C4'-P energy: -108.445 bonds (distance) P-C4' energy: -132.959 flat angles C4'-P-C4' energy: -146.861 flat angles P-C4'-P energy: -105.467 tors. eta vs tors. theta energy: -224.107 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: 9 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2461.656372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.656372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.656372 (E_RNA) where: Base-Base interactions energy: -1727.507 where: short stacking energy: -696.591 Base-Backbone interact. energy: -2.392 local terms energy: -731.757266 where: bonds (distance) C4'-P energy: -130.553 bonds (distance) P-C4' energy: -120.989 flat angles C4'-P-C4' energy: -155.819 flat angles P-C4'-P energy: -107.811 tors. eta vs tors. theta energy: -216.586 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: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2326.644506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.644506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.644506 (E_RNA) where: Base-Base interactions energy: -1664.044 where: short stacking energy: -684.887 Base-Backbone interact. energy: -4.279 local terms energy: -658.320643 where: bonds (distance) C4'-P energy: -110.958 bonds (distance) P-C4' energy: -109.534 flat angles C4'-P-C4' energy: -138.683 flat angles P-C4'-P energy: -91.487 tors. eta vs tors. theta energy: -207.658 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: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2012.897371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.897371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.897371 (E_RNA) where: Base-Base interactions energy: -1375.737 where: short stacking energy: -602.083 Base-Backbone interact. energy: -0.453 local terms energy: -636.706705 where: bonds (distance) C4'-P energy: -116.007 bonds (distance) P-C4' energy: -102.545 flat angles C4'-P-C4' energy: -148.866 flat angles P-C4'-P energy: -93.747 tors. eta vs tors. theta energy: -175.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1962.805270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.805270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.805270 (E_RNA) where: Base-Base interactions energy: -1377.929 where: short stacking energy: -578.109 Base-Backbone interact. energy: 1.889 local terms energy: -586.765230 where: bonds (distance) C4'-P energy: -109.632 bonds (distance) P-C4' energy: -116.028 flat angles C4'-P-C4' energy: -128.540 flat angles P-C4'-P energy: -85.831 tors. eta vs tors. theta energy: -146.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1637.057614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.057614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.057614 (E_RNA) where: Base-Base interactions energy: -1107.587 where: short stacking energy: -495.258 Base-Backbone interact. energy: 0.659 local terms energy: -530.130189 where: bonds (distance) C4'-P energy: -107.954 bonds (distance) P-C4' energy: -99.560 flat angles C4'-P-C4' energy: -133.831 flat angles P-C4'-P energy: -58.902 tors. eta vs tors. theta energy: -129.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1500.054270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.054270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.054270 (E_RNA) where: Base-Base interactions energy: -1015.250 where: short stacking energy: -457.082 Base-Backbone interact. energy: 3.106 local terms energy: -487.910051 where: bonds (distance) C4'-P energy: -111.532 bonds (distance) P-C4' energy: -88.419 flat angles C4'-P-C4' energy: -100.437 flat angles P-C4'-P energy: -81.305 tors. eta vs tors. theta energy: -106.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -966.317678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.317678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.317678 (E_RNA) where: Base-Base interactions energy: -577.761 where: short stacking energy: -270.930 Base-Backbone interact. energy: 4.187 local terms energy: -392.744010 where: bonds (distance) C4'-P energy: -110.115 bonds (distance) P-C4' energy: -104.140 flat angles C4'-P-C4' energy: -107.757 flat angles P-C4'-P energy: -53.585 tors. eta vs tors. theta energy: -17.146 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: 8 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2678.290028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.290028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.290028 (E_RNA) where: Base-Base interactions energy: -1928.120 where: short stacking energy: -756.917 Base-Backbone interact. energy: -2.915 local terms energy: -747.254602 where: bonds (distance) C4'-P energy: -137.646 bonds (distance) P-C4' energy: -118.073 flat angles C4'-P-C4' energy: -145.745 flat angles P-C4'-P energy: -116.037 tors. eta vs tors. theta energy: -229.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2647.627152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.627152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.627152 (E_RNA) where: Base-Base interactions energy: -1883.168 where: short stacking energy: -778.635 Base-Backbone interact. energy: -0.250 local terms energy: -764.209358 where: bonds (distance) C4'-P energy: -128.573 bonds (distance) P-C4' energy: -126.950 flat angles C4'-P-C4' energy: -165.722 flat angles P-C4'-P energy: -109.515 tors. eta vs tors. theta energy: -233.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2534.104282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.104282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.104282 (E_RNA) where: Base-Base interactions energy: -1759.062 where: short stacking energy: -718.697 Base-Backbone interact. energy: -2.375 local terms energy: -772.667469 where: bonds (distance) C4'-P energy: -146.550 bonds (distance) P-C4' energy: -136.341 flat angles C4'-P-C4' energy: -155.968 flat angles P-C4'-P energy: -103.524 tors. eta vs tors. theta energy: -230.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2481.834561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.834561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.834561 (E_RNA) where: Base-Base interactions energy: -1753.191 where: short stacking energy: -717.065 Base-Backbone interact. energy: -3.817 local terms energy: -724.826476 where: bonds (distance) C4'-P energy: -122.092 bonds (distance) P-C4' energy: -107.117 flat angles C4'-P-C4' energy: -164.588 flat angles P-C4'-P energy: -107.003 tors. eta vs tors. theta energy: -224.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2323.201993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.201993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.201993 (E_RNA) where: Base-Base interactions energy: -1633.863 where: short stacking energy: -681.546 Base-Backbone interact. energy: -2.034 local terms energy: -687.305218 where: bonds (distance) C4'-P energy: -108.314 bonds (distance) P-C4' energy: -136.037 flat angles C4'-P-C4' energy: -142.096 flat angles P-C4'-P energy: -96.398 tors. eta vs tors. theta energy: -204.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2076.714352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.714352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.714352 (E_RNA) where: Base-Base interactions energy: -1454.351 where: short stacking energy: -611.220 Base-Backbone interact. energy: -3.537 local terms energy: -618.826054 where: bonds (distance) C4'-P energy: -113.998 bonds (distance) P-C4' energy: -105.339 flat angles C4'-P-C4' energy: -126.806 flat angles P-C4'-P energy: -82.327 tors. eta vs tors. theta energy: -190.356 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: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1985.595640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.595640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.595640 (E_RNA) where: Base-Base interactions energy: -1402.842 where: short stacking energy: -573.105 Base-Backbone interact. energy: 0.152 local terms energy: -582.905324 where: bonds (distance) C4'-P energy: -99.497 bonds (distance) P-C4' energy: -109.705 flat angles C4'-P-C4' energy: -132.259 flat angles P-C4'-P energy: -79.964 tors. eta vs tors. theta energy: -161.481 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: 5 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1715.342197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.342197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.342197 (E_RNA) where: Base-Base interactions energy: -1163.452 where: short stacking energy: -501.345 Base-Backbone interact. energy: 1.820 local terms energy: -553.710832 where: bonds (distance) C4'-P energy: -116.238 bonds (distance) P-C4' energy: -100.710 flat angles C4'-P-C4' energy: -132.694 flat angles P-C4'-P energy: -74.317 tors. eta vs tors. theta energy: -129.752 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: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1488.031841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.031841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.031841 (E_RNA) where: Base-Base interactions energy: -1041.331 where: short stacking energy: -452.354 Base-Backbone interact. energy: 0.399 local terms energy: -447.099296 where: bonds (distance) C4'-P energy: -89.660 bonds (distance) P-C4' energy: -90.727 flat angles C4'-P-C4' energy: -115.560 flat angles P-C4'-P energy: -50.509 tors. eta vs tors. theta energy: -100.643 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: 6 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -1012.828455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.828455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.828455 (E_RNA) where: Base-Base interactions energy: -607.263 where: short stacking energy: -300.613 Base-Backbone interact. energy: 2.077 local terms energy: -407.642230 where: bonds (distance) C4'-P energy: -93.219 bonds (distance) P-C4' energy: -98.345 flat angles C4'-P-C4' energy: -115.398 flat angles P-C4'-P energy: -44.047 tors. eta vs tors. theta energy: -56.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2688.223707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.223707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.223707 (E_RNA) where: Base-Base interactions energy: -1939.102 where: short stacking energy: -774.528 Base-Backbone interact. energy: 3.285 local terms energy: -752.407270 where: bonds (distance) C4'-P energy: -133.446 bonds (distance) P-C4' energy: -132.757 flat angles C4'-P-C4' energy: -151.295 flat angles P-C4'-P energy: -108.246 tors. eta vs tors. theta energy: -226.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2612.148499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.148499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.148499 (E_RNA) where: Base-Base interactions energy: -1864.590 where: short stacking energy: -767.907 Base-Backbone interact. energy: -2.586 local terms energy: -744.972469 where: bonds (distance) C4'-P energy: -120.275 bonds (distance) P-C4' energy: -134.236 flat angles C4'-P-C4' energy: -151.175 flat angles P-C4'-P energy: -100.835 tors. eta vs tors. theta energy: -238.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2514.936270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.936270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.936270 (E_RNA) where: Base-Base interactions energy: -1800.060 where: short stacking energy: -737.627 Base-Backbone interact. energy: -0.720 local terms energy: -714.156949 where: bonds (distance) C4'-P energy: -119.166 bonds (distance) P-C4' energy: -136.666 flat angles C4'-P-C4' energy: -137.490 flat angles P-C4'-P energy: -97.916 tors. eta vs tors. theta energy: -222.919 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: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2439.971263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.971263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.971263 (E_RNA) where: Base-Base interactions energy: -1717.393 where: short stacking energy: -719.695 Base-Backbone interact. energy: -2.562 local terms energy: -720.015854 where: bonds (distance) C4'-P energy: -132.369 bonds (distance) P-C4' energy: -126.537 flat angles C4'-P-C4' energy: -150.260 flat angles P-C4'-P energy: -84.439 tors. eta vs tors. theta energy: -226.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2317.561192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.561192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.561192 (E_RNA) where: Base-Base interactions energy: -1634.076 where: short stacking energy: -656.228 Base-Backbone interact. energy: -2.344 local terms energy: -681.141497 where: bonds (distance) C4'-P energy: -110.011 bonds (distance) P-C4' energy: -119.767 flat angles C4'-P-C4' energy: -154.975 flat angles P-C4'-P energy: -91.556 tors. eta vs tors. theta energy: -204.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2052.094796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.094796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.094796 (E_RNA) where: Base-Base interactions energy: -1419.449 where: short stacking energy: -601.919 Base-Backbone interact. energy: -4.515 local terms energy: -628.130593 where: bonds (distance) C4'-P energy: -113.233 bonds (distance) P-C4' energy: -116.318 flat angles C4'-P-C4' energy: -132.120 flat angles P-C4'-P energy: -84.399 tors. eta vs tors. theta energy: -182.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1875.649151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.649151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.649151 (E_RNA) where: Base-Base interactions energy: -1312.532 where: short stacking energy: -532.922 Base-Backbone interact. energy: -1.602 local terms energy: -561.515110 where: bonds (distance) C4'-P energy: -89.479 bonds (distance) P-C4' energy: -125.433 flat angles C4'-P-C4' energy: -134.316 flat angles P-C4'-P energy: -79.392 tors. eta vs tors. theta energy: -132.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1753.322333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.322333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.322333 (E_RNA) where: Base-Base interactions energy: -1207.860 where: short stacking energy: -506.706 Base-Backbone interact. energy: -0.012 local terms energy: -545.450723 where: bonds (distance) C4'-P energy: -125.334 bonds (distance) P-C4' energy: -98.789 flat angles C4'-P-C4' energy: -109.207 flat angles P-C4'-P energy: -85.768 tors. eta vs tors. theta energy: -126.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1479.300278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.300278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.300278 (E_RNA) where: Base-Base interactions energy: -988.897 where: short stacking energy: -414.074 Base-Backbone interact. energy: -1.790 local terms energy: -488.613253 where: bonds (distance) C4'-P energy: -107.515 bonds (distance) P-C4' energy: -105.205 flat angles C4'-P-C4' energy: -120.517 flat angles P-C4'-P energy: -58.106 tors. eta vs tors. theta energy: -97.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -907.984183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.984183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.984183 (E_RNA) where: Base-Base interactions energy: -513.261 where: short stacking energy: -222.183 Base-Backbone interact. energy: -2.265 local terms energy: -392.458378 where: bonds (distance) C4'-P energy: -103.583 bonds (distance) P-C4' energy: -125.957 flat angles C4'-P-C4' energy: -93.383 flat angles P-C4'-P energy: -45.921 tors. eta vs tors. theta energy: -23.615 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: 1, replica: 8 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2685.108692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.108692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.108692 (E_RNA) where: Base-Base interactions energy: -1925.716 where: short stacking energy: -770.955 Base-Backbone interact. energy: -1.858 local terms energy: -757.534906 where: bonds (distance) C4'-P energy: -120.753 bonds (distance) P-C4' energy: -136.171 flat angles C4'-P-C4' energy: -161.508 flat angles P-C4'-P energy: -111.855 tors. eta vs tors. theta energy: -227.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2607.705934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.705934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.705934 (E_RNA) where: Base-Base interactions energy: -1841.008 where: short stacking energy: -754.931 Base-Backbone interact. energy: -2.219 local terms energy: -764.479269 where: bonds (distance) C4'-P energy: -130.421 bonds (distance) P-C4' energy: -128.796 flat angles C4'-P-C4' energy: -162.068 flat angles P-C4'-P energy: -118.277 tors. eta vs tors. theta energy: -224.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2516.212698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.212698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.212698 (E_RNA) where: Base-Base interactions energy: -1798.134 where: short stacking energy: -735.316 Base-Backbone interact. energy: -1.702 local terms energy: -716.376633 where: bonds (distance) C4'-P energy: -106.587 bonds (distance) P-C4' energy: -126.793 flat angles C4'-P-C4' energy: -148.842 flat angles P-C4'-P energy: -103.589 tors. eta vs tors. theta energy: -230.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2485.221455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.221455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.221455 (E_RNA) where: Base-Base interactions energy: -1754.117 where: short stacking energy: -715.971 Base-Backbone interact. energy: 0.767 local terms energy: -731.871097 where: bonds (distance) C4'-P energy: -119.976 bonds (distance) P-C4' energy: -126.265 flat angles C4'-P-C4' energy: -155.028 flat angles P-C4'-P energy: -108.728 tors. eta vs tors. theta energy: -221.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2332.732874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.732874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.732874 (E_RNA) where: Base-Base interactions energy: -1648.260 where: short stacking energy: -685.944 Base-Backbone interact. energy: -0.792 local terms energy: -683.681187 where: bonds (distance) C4'-P energy: -99.634 bonds (distance) P-C4' energy: -116.135 flat angles C4'-P-C4' energy: -153.813 flat angles P-C4'-P energy: -111.241 tors. eta vs tors. theta energy: -202.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2029.988351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.988351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.988351 (E_RNA) where: Base-Base interactions energy: -1418.234 where: short stacking energy: -599.986 Base-Backbone interact. energy: 0.361 local terms energy: -612.114741 where: bonds (distance) C4'-P energy: -104.372 bonds (distance) P-C4' energy: -117.875 flat angles C4'-P-C4' energy: -130.257 flat angles P-C4'-P energy: -91.740 tors. eta vs tors. theta energy: -167.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1924.974713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.974713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.974713 (E_RNA) where: Base-Base interactions energy: -1349.644 where: short stacking energy: -548.916 Base-Backbone interact. energy: -1.716 local terms energy: -573.614500 where: bonds (distance) C4'-P energy: -113.511 bonds (distance) P-C4' energy: -91.824 flat angles C4'-P-C4' energy: -142.810 flat angles P-C4'-P energy: -80.331 tors. eta vs tors. theta energy: -145.138 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: 5 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1766.794832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.794832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.794832 (E_RNA) where: Base-Base interactions energy: -1214.478 where: short stacking energy: -504.546 Base-Backbone interact. energy: -2.777 local terms energy: -549.539848 where: bonds (distance) C4'-P energy: -105.938 bonds (distance) P-C4' energy: -126.821 flat angles C4'-P-C4' energy: -129.274 flat angles P-C4'-P energy: -60.212 tors. eta vs tors. theta energy: -127.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1550.765945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.765945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.765945 (E_RNA) where: Base-Base interactions energy: -1047.185 where: short stacking energy: -449.244 Base-Backbone interact. energy: -2.316 local terms energy: -501.265179 where: bonds (distance) C4'-P energy: -106.965 bonds (distance) P-C4' energy: -105.599 flat angles C4'-P-C4' energy: -130.727 flat angles P-C4'-P energy: -69.068 tors. eta vs tors. theta energy: -88.906 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: 225 Temperature: 1.350000 Total energy: -939.277802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.277802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.277802 (E_RNA) where: Base-Base interactions energy: -550.167 where: short stacking energy: -270.530 Base-Backbone interact. energy: -1.494 local terms energy: -387.616292 where: bonds (distance) C4'-P energy: -87.528 bonds (distance) P-C4' energy: -99.068 flat angles C4'-P-C4' energy: -95.336 flat angles P-C4'-P energy: -69.803 tors. eta vs tors. theta energy: -35.883 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: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2664.571312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.571312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.571312 (E_RNA) where: Base-Base interactions energy: -1920.828 where: short stacking energy: -766.790 Base-Backbone interact. energy: 0.502 local terms energy: -744.245597 where: bonds (distance) C4'-P energy: -140.574 bonds (distance) P-C4' energy: -134.241 flat angles C4'-P-C4' energy: -151.704 flat angles P-C4'-P energy: -86.802 tors. eta vs tors. theta energy: -230.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2597.643262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.643262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.643262 (E_RNA) where: Base-Base interactions energy: -1848.759 where: short stacking energy: -763.450 Base-Backbone interact. energy: -2.231 local terms energy: -746.653644 where: bonds (distance) C4'-P energy: -128.043 bonds (distance) P-C4' energy: -130.875 flat angles C4'-P-C4' energy: -147.480 flat angles P-C4'-P energy: -110.845 tors. eta vs tors. theta energy: -229.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2558.015240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.015240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.015240 (E_RNA) where: Base-Base interactions energy: -1806.592 where: short stacking energy: -755.784 Base-Backbone interact. energy: -2.827 local terms energy: -748.595684 where: bonds (distance) C4'-P energy: -122.218 bonds (distance) P-C4' energy: -120.043 flat angles C4'-P-C4' energy: -161.515 flat angles P-C4'-P energy: -108.344 tors. eta vs tors. theta energy: -236.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2478.318097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.318097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.318097 (E_RNA) where: Base-Base interactions energy: -1731.369 where: short stacking energy: -715.381 Base-Backbone interact. energy: -1.901 local terms energy: -745.048671 where: bonds (distance) C4'-P energy: -133.080 bonds (distance) P-C4' energy: -132.606 flat angles C4'-P-C4' energy: -145.466 flat angles P-C4'-P energy: -105.661 tors. eta vs tors. theta energy: -228.236 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: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2333.192586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.192586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.192586 (E_RNA) where: Base-Base interactions energy: -1655.878 where: short stacking energy: -676.984 Base-Backbone interact. energy: 2.354 local terms energy: -679.669152 where: bonds (distance) C4'-P energy: -89.726 bonds (distance) P-C4' energy: -138.798 flat angles C4'-P-C4' energy: -135.612 flat angles P-C4'-P energy: -105.284 tors. eta vs tors. theta energy: -210.248 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: 6, replica: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2014.500012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.500012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.500012 (E_RNA) where: Base-Base interactions energy: -1398.214 where: short stacking energy: -564.504 Base-Backbone interact. energy: -1.529 local terms energy: -614.756873 where: bonds (distance) C4'-P energy: -114.471 bonds (distance) P-C4' energy: -119.913 flat angles C4'-P-C4' energy: -133.876 flat angles P-C4'-P energy: -85.004 tors. eta vs tors. theta energy: -161.493 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: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1943.811565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.811565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.811565 (E_RNA) where: Base-Base interactions energy: -1353.214 where: short stacking energy: -565.839 Base-Backbone interact. energy: -3.406 local terms energy: -587.192126 where: bonds (distance) C4'-P energy: -106.418 bonds (distance) P-C4' energy: -115.801 flat angles C4'-P-C4' energy: -129.064 flat angles P-C4'-P energy: -84.156 tors. eta vs tors. theta energy: -151.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1811.276356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.276356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.276356 (E_RNA) where: Base-Base interactions energy: -1266.156 where: short stacking energy: -531.048 Base-Backbone interact. energy: -2.130 local terms energy: -542.990275 where: bonds (distance) C4'-P energy: -104.550 bonds (distance) P-C4' energy: -110.637 flat angles C4'-P-C4' energy: -117.519 flat angles P-C4'-P energy: -75.334 tors. eta vs tors. theta energy: -134.949 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: 3 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1470.672075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.672075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.672075 (E_RNA) where: Base-Base interactions energy: -971.933 where: short stacking energy: -415.897 Base-Backbone interact. energy: -2.477 local terms energy: -496.262814 where: bonds (distance) C4'-P energy: -113.682 bonds (distance) P-C4' energy: -112.976 flat angles C4'-P-C4' energy: -119.884 flat angles P-C4'-P energy: -52.096 tors. eta vs tors. theta energy: -97.625 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: 6 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -925.449008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.449008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.449008 (E_RNA) where: Base-Base interactions energy: -499.177 where: short stacking energy: -282.972 Base-Backbone interact. energy: -1.428 local terms energy: -424.844389 where: bonds (distance) C4'-P energy: -121.059 bonds (distance) P-C4' energy: -105.358 flat angles C4'-P-C4' energy: -100.187 flat angles P-C4'-P energy: -62.146 tors. eta vs tors. theta energy: -36.094 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: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2681.463447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.463447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.463447 (E_RNA) where: Base-Base interactions energy: -1910.603 where: short stacking energy: -754.583 Base-Backbone interact. energy: -3.879 local terms energy: -766.981373 where: bonds (distance) C4'-P energy: -120.084 bonds (distance) P-C4' energy: -147.525 flat angles C4'-P-C4' energy: -162.866 flat angles P-C4'-P energy: -106.872 tors. eta vs tors. theta energy: -229.635 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: 2, replica: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2619.564570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.564570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.564570 (E_RNA) where: Base-Base interactions energy: -1872.063 where: short stacking energy: -758.773 Base-Backbone interact. energy: -0.926 local terms energy: -746.575062 where: bonds (distance) C4'-P energy: -127.314 bonds (distance) P-C4' energy: -126.145 flat angles C4'-P-C4' energy: -152.974 flat angles P-C4'-P energy: -108.039 tors. eta vs tors. theta energy: -232.102 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: 9 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2552.934600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.934600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.934600 (E_RNA) where: Base-Base interactions energy: -1781.787 where: short stacking energy: -727.245 Base-Backbone interact. energy: -2.848 local terms energy: -768.299572 where: bonds (distance) C4'-P energy: -123.857 bonds (distance) P-C4' energy: -145.032 flat angles C4'-P-C4' energy: -157.781 flat angles P-C4'-P energy: -109.622 tors. eta vs tors. theta energy: -232.009 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: 1 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2495.010319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.010319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.010319 (E_RNA) where: Base-Base interactions energy: -1794.593 where: short stacking energy: -726.038 Base-Backbone interact. energy: -0.273 local terms energy: -700.144840 where: bonds (distance) C4'-P energy: -122.167 bonds (distance) P-C4' energy: -117.499 flat angles C4'-P-C4' energy: -148.249 flat angles P-C4'-P energy: -90.438 tors. eta vs tors. theta energy: -221.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2338.489974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.489974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.489974 (E_RNA) where: Base-Base interactions energy: -1640.201 where: short stacking energy: -680.880 Base-Backbone interact. energy: -0.875 local terms energy: -697.414094 where: bonds (distance) C4'-P energy: -105.187 bonds (distance) P-C4' energy: -120.989 flat angles C4'-P-C4' energy: -149.609 flat angles P-C4'-P energy: -104.358 tors. eta vs tors. theta energy: -217.272 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: 6, replica: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2012.562960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.562960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.562960 (E_RNA) where: Base-Base interactions energy: -1370.488 where: short stacking energy: -592.032 Base-Backbone interact. energy: -2.194 local terms energy: -639.880724 where: bonds (distance) C4'-P energy: -128.270 bonds (distance) P-C4' energy: -110.569 flat angles C4'-P-C4' energy: -132.862 flat angles P-C4'-P energy: -81.701 tors. eta vs tors. theta energy: -186.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1909.813420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.813420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.813420 (E_RNA) where: Base-Base interactions energy: -1307.425 where: short stacking energy: -537.444 Base-Backbone interact. energy: 2.491 local terms energy: -604.879134 where: bonds (distance) C4'-P energy: -120.957 bonds (distance) P-C4' energy: -129.344 flat angles C4'-P-C4' energy: -127.097 flat angles P-C4'-P energy: -77.352 tors. eta vs tors. theta energy: -150.128 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: 227 Temperature: 1.250000 Total energy: -1831.045012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.045012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.045012 (E_RNA) where: Base-Base interactions energy: -1238.142 where: short stacking energy: -519.255 Base-Backbone interact. energy: -1.708 local terms energy: -591.195313 where: bonds (distance) C4'-P energy: -100.849 bonds (distance) P-C4' energy: -128.247 flat angles C4'-P-C4' energy: -133.005 flat angles P-C4'-P energy: -82.574 tors. eta vs tors. theta energy: -146.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1536.482143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.482143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.482143 (E_RNA) where: Base-Base interactions energy: -1029.157 where: short stacking energy: -431.252 Base-Backbone interact. energy: -0.312 local terms energy: -507.012674 where: bonds (distance) C4'-P energy: -96.057 bonds (distance) P-C4' energy: -116.653 flat angles C4'-P-C4' energy: -122.591 flat angles P-C4'-P energy: -72.129 tors. eta vs tors. theta energy: -99.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -886.095102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.095102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.095102 (E_RNA) where: Base-Base interactions energy: -479.384 where: short stacking energy: -234.429 Base-Backbone interact. energy: -1.266 local terms energy: -405.444760 where: bonds (distance) C4'-P energy: -108.769 bonds (distance) P-C4' energy: -113.479 flat angles C4'-P-C4' energy: -94.066 flat angles P-C4'-P energy: -70.762 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: 1, replica: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2665.587205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.587205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.587205 (E_RNA) where: Base-Base interactions energy: -1895.582 where: short stacking energy: -754.429 Base-Backbone interact. energy: -0.855 local terms energy: -769.150145 where: bonds (distance) C4'-P energy: -139.662 bonds (distance) P-C4' energy: -140.419 flat angles C4'-P-C4' energy: -148.527 flat angles P-C4'-P energy: -118.238 tors. eta vs tors. theta energy: -222.304 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: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2613.303536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.303536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.303536 (E_RNA) where: Base-Base interactions energy: -1874.125 where: short stacking energy: -745.380 Base-Backbone interact. energy: -4.625 local terms energy: -734.553649 where: bonds (distance) C4'-P energy: -121.644 bonds (distance) P-C4' energy: -129.803 flat angles C4'-P-C4' energy: -156.609 flat angles P-C4'-P energy: -107.174 tors. eta vs tors. theta energy: -219.323 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: 3, replica: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2506.959111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.959111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.959111 (E_RNA) where: Base-Base interactions energy: -1785.644 where: short stacking energy: -729.252 Base-Backbone interact. energy: -1.861 local terms energy: -719.454672 where: bonds (distance) C4'-P energy: -127.043 bonds (distance) P-C4' energy: -119.419 flat angles C4'-P-C4' energy: -157.066 flat angles P-C4'-P energy: -92.065 tors. eta vs tors. theta energy: -223.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2434.399020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.399020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.399020 (E_RNA) where: Base-Base interactions energy: -1722.728 where: short stacking energy: -708.441 Base-Backbone interact. energy: -1.176 local terms energy: -710.494660 where: bonds (distance) C4'-P energy: -115.251 bonds (distance) P-C4' energy: -133.765 flat angles C4'-P-C4' energy: -147.752 flat angles P-C4'-P energy: -92.706 tors. eta vs tors. theta energy: -221.021 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: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2331.056513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.056513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.056513 (E_RNA) where: Base-Base interactions energy: -1623.697 where: short stacking energy: -676.077 Base-Backbone interact. energy: -1.982 local terms energy: -705.377595 where: bonds (distance) C4'-P energy: -116.984 bonds (distance) P-C4' energy: -139.377 flat angles C4'-P-C4' energy: -142.161 flat angles P-C4'-P energy: -103.943 tors. eta vs tors. theta energy: -202.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2044.985116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.985116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.985116 (E_RNA) where: Base-Base interactions energy: -1426.895 where: short stacking energy: -600.397 Base-Backbone interact. energy: -1.764 local terms energy: -616.326436 where: bonds (distance) C4'-P energy: -113.104 bonds (distance) P-C4' energy: -120.546 flat angles C4'-P-C4' energy: -135.357 flat angles P-C4'-P energy: -72.953 tors. eta vs tors. theta energy: -174.367 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: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1924.419631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.419631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.419631 (E_RNA) where: Base-Base interactions energy: -1351.740 where: short stacking energy: -563.823 Base-Backbone interact. energy: -2.942 local terms energy: -569.738367 where: bonds (distance) C4'-P energy: -103.365 bonds (distance) P-C4' energy: -111.965 flat angles C4'-P-C4' energy: -126.120 flat angles P-C4'-P energy: -75.511 tors. eta vs tors. theta energy: -152.777 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: 5 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1949.693436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.693436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.693436 (E_RNA) where: Base-Base interactions energy: -1347.095 where: short stacking energy: -552.946 Base-Backbone interact. energy: -1.514 local terms energy: -601.084519 where: bonds (distance) C4'-P energy: -108.018 bonds (distance) P-C4' energy: -130.512 flat angles C4'-P-C4' energy: -132.542 flat angles P-C4'-P energy: -69.558 tors. eta vs tors. theta energy: -160.455 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: 9, replica: 3 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1504.578012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.578012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.578012 (E_RNA) where: Base-Base interactions energy: -996.568 where: short stacking energy: -449.076 Base-Backbone interact. energy: 0.042 local terms energy: -508.051607 where: bonds (distance) C4'-P energy: -92.198 bonds (distance) P-C4' energy: -110.483 flat angles C4'-P-C4' energy: -129.263 flat angles P-C4'-P energy: -72.786 tors. eta vs tors. theta energy: -103.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -907.741401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.741401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.741401 (E_RNA) where: Base-Base interactions energy: -530.130 where: short stacking energy: -244.126 Base-Backbone interact. energy: 0.975 local terms energy: -378.586533 where: bonds (distance) C4'-P energy: -95.546 bonds (distance) P-C4' energy: -127.390 flat angles C4'-P-C4' energy: -111.719 flat angles P-C4'-P energy: -29.003 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: 1, replica: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2676.151579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.151579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.151579 (E_RNA) where: Base-Base interactions energy: -1914.758 where: short stacking energy: -758.666 Base-Backbone interact. energy: -2.087 local terms energy: -759.306749 where: bonds (distance) C4'-P energy: -125.516 bonds (distance) P-C4' energy: -133.264 flat angles C4'-P-C4' energy: -165.261 flat angles P-C4'-P energy: -112.919 tors. eta vs tors. theta energy: -222.346 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: 229 Temperature: 0.950000 Total energy: -2603.099084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.099084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.099084 (E_RNA) where: Base-Base interactions energy: -1862.386 where: short stacking energy: -781.552 Base-Backbone interact. energy: 1.288 local terms energy: -742.001266 where: bonds (distance) C4'-P energy: -124.472 bonds (distance) P-C4' energy: -135.233 flat angles C4'-P-C4' energy: -152.932 flat angles P-C4'-P energy: -103.598 tors. eta vs tors. theta energy: -225.765 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: 3, replica: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2500.118277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.118277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.118277 (E_RNA) where: Base-Base interactions energy: -1766.690 where: short stacking energy: -729.792 Base-Backbone interact. energy: 0.911 local terms energy: -734.339461 where: bonds (distance) C4'-P energy: -134.634 bonds (distance) P-C4' energy: -128.193 flat angles C4'-P-C4' energy: -155.108 flat angles P-C4'-P energy: -97.505 tors. eta vs tors. theta energy: -218.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2491.104735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.104735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.104735 (E_RNA) where: Base-Base interactions energy: -1776.150 where: short stacking energy: -739.926 Base-Backbone interact. energy: -0.268 local terms energy: -714.686361 where: bonds (distance) C4'-P energy: -109.925 bonds (distance) P-C4' energy: -125.101 flat angles C4'-P-C4' energy: -155.738 flat angles P-C4'-P energy: -100.566 tors. eta vs tors. theta energy: -223.356 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: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2336.559714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.559714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.559714 (E_RNA) where: Base-Base interactions energy: -1633.029 where: short stacking energy: -647.078 Base-Backbone interact. energy: -2.068 local terms energy: -701.462019 where: bonds (distance) C4'-P energy: -126.369 bonds (distance) P-C4' energy: -115.421 flat angles C4'-P-C4' energy: -163.171 flat angles P-C4'-P energy: -92.308 tors. eta vs tors. theta energy: -204.194 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: 229 Temperature: 1.150000 Total energy: -2049.226136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.226136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.226136 (E_RNA) where: Base-Base interactions energy: -1429.699 where: short stacking energy: -595.581 Base-Backbone interact. energy: -1.160 local terms energy: -618.367036 where: bonds (distance) C4'-P energy: -106.704 bonds (distance) P-C4' energy: -109.855 flat angles C4'-P-C4' energy: -139.987 flat angles P-C4'-P energy: -86.449 tors. eta vs tors. theta energy: -175.372 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: 4 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1934.705037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.705037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.705037 (E_RNA) where: Base-Base interactions energy: -1319.930 where: short stacking energy: -553.176 Base-Backbone interact. energy: 0.715 local terms energy: -615.490568 where: bonds (distance) C4'-P energy: -99.949 bonds (distance) P-C4' energy: -118.707 flat angles C4'-P-C4' energy: -146.226 flat angles P-C4'-P energy: -99.067 tors. eta vs tors. theta energy: -151.541 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: 5 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1868.526371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.526371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.526371 (E_RNA) where: Base-Base interactions energy: -1295.617 where: short stacking energy: -508.966 Base-Backbone interact. energy: -2.061 local terms energy: -570.848179 where: bonds (distance) C4'-P energy: -98.579 bonds (distance) P-C4' energy: -120.978 flat angles C4'-P-C4' energy: -127.853 flat angles P-C4'-P energy: -81.776 tors. eta vs tors. theta energy: -141.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1465.263323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.263323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.263323 (E_RNA) where: Base-Base interactions energy: -991.263 where: short stacking energy: -404.531 Base-Backbone interact. energy: 0.096 local terms energy: -474.097051 where: bonds (distance) C4'-P energy: -110.527 bonds (distance) P-C4' energy: -111.211 flat angles C4'-P-C4' energy: -110.339 flat angles P-C4'-P energy: -57.876 tors. eta vs tors. theta energy: -84.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -888.411343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.411343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.411343 (E_RNA) where: Base-Base interactions energy: -513.415 where: short stacking energy: -252.989 Base-Backbone interact. energy: 1.363 local terms energy: -376.359168 where: bonds (distance) C4'-P energy: -107.819 bonds (distance) P-C4' energy: -100.560 flat angles C4'-P-C4' energy: -97.998 flat angles P-C4'-P energy: -41.322 tors. eta vs tors. theta energy: -28.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2669.990218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.990218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.990218 (E_RNA) where: Base-Base interactions energy: -1921.864 where: short stacking energy: -769.336 Base-Backbone interact. energy: -0.693 local terms energy: -747.432865 where: bonds (distance) C4'-P energy: -134.361 bonds (distance) P-C4' energy: -138.334 flat angles C4'-P-C4' energy: -153.004 flat angles P-C4'-P energy: -95.606 tors. eta vs tors. theta energy: -226.129 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: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2603.208033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.208033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.208033 (E_RNA) where: Base-Base interactions energy: -1850.980 where: short stacking energy: -767.468 Base-Backbone interact. energy: -0.393 local terms energy: -751.835653 where: bonds (distance) C4'-P energy: -125.152 bonds (distance) P-C4' energy: -125.171 flat angles C4'-P-C4' energy: -160.676 flat angles P-C4'-P energy: -107.632 tors. eta vs tors. theta energy: -233.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2543.350433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.350433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.350433 (E_RNA) where: Base-Base interactions energy: -1795.607 where: short stacking energy: -753.137 Base-Backbone interact. energy: -1.079 local terms energy: -746.663997 where: bonds (distance) C4'-P energy: -115.556 bonds (distance) P-C4' energy: -139.104 flat angles C4'-P-C4' energy: -154.554 flat angles P-C4'-P energy: -102.274 tors. eta vs tors. theta energy: -235.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2499.975130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.975130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.975130 (E_RNA) where: Base-Base interactions energy: -1777.057 where: short stacking energy: -718.388 Base-Backbone interact. energy: -5.179 local terms energy: -717.739116 where: bonds (distance) C4'-P energy: -118.726 bonds (distance) P-C4' energy: -121.241 flat angles C4'-P-C4' energy: -158.490 flat angles P-C4'-P energy: -98.428 tors. eta vs tors. theta energy: -220.854 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: 230 Temperature: 1.100000 Total energy: -2371.333384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.333384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.333384 (E_RNA) where: Base-Base interactions energy: -1679.582 where: short stacking energy: -693.762 Base-Backbone interact. energy: -1.211 local terms energy: -690.539650 where: bonds (distance) C4'-P energy: -127.220 bonds (distance) P-C4' energy: -108.146 flat angles C4'-P-C4' energy: -150.534 flat angles P-C4'-P energy: -96.626 tors. eta vs tors. theta energy: -208.013 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: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2013.434891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.434891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.434891 (E_RNA) where: Base-Base interactions energy: -1380.497 where: short stacking energy: -587.397 Base-Backbone interact. energy: -3.575 local terms energy: -629.363101 where: bonds (distance) C4'-P energy: -130.227 bonds (distance) P-C4' energy: -109.484 flat angles C4'-P-C4' energy: -134.078 flat angles P-C4'-P energy: -80.031 tors. eta vs tors. theta energy: -175.543 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: 4 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1962.976342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.976342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.976342 (E_RNA) where: Base-Base interactions energy: -1357.769 where: short stacking energy: -583.503 Base-Backbone interact. energy: -3.749 local terms energy: -601.458270 where: bonds (distance) C4'-P energy: -111.699 bonds (distance) P-C4' energy: -130.196 flat angles C4'-P-C4' energy: -130.305 flat angles P-C4'-P energy: -76.690 tors. eta vs tors. theta energy: -152.569 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: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1995.391303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.391303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.391303 (E_RNA) where: Base-Base interactions energy: -1411.087 where: short stacking energy: -572.764 Base-Backbone interact. energy: -2.018 local terms energy: -582.286645 where: bonds (distance) C4'-P energy: -90.232 bonds (distance) P-C4' energy: -94.170 flat angles C4'-P-C4' energy: -131.815 flat angles P-C4'-P energy: -92.550 tors. eta vs tors. theta energy: -173.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1504.060313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.060313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.060313 (E_RNA) where: Base-Base interactions energy: -1004.739 where: short stacking energy: -418.005 Base-Backbone interact. energy: -0.814 local terms energy: -498.507567 where: bonds (distance) C4'-P energy: -105.229 bonds (distance) P-C4' energy: -116.545 flat angles C4'-P-C4' energy: -103.965 flat angles P-C4'-P energy: -75.838 tors. eta vs tors. theta energy: -96.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -903.438923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.438923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.438923 (E_RNA) where: Base-Base interactions energy: -496.279 where: short stacking energy: -263.965 Base-Backbone interact. energy: 0.822 local terms energy: -407.981926 where: bonds (distance) C4'-P energy: -108.375 bonds (distance) P-C4' energy: -109.950 flat angles C4'-P-C4' energy: -101.372 flat angles P-C4'-P energy: -62.712 tors. eta vs tors. theta energy: -25.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2660.802694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.802694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.802694 (E_RNA) where: Base-Base interactions energy: -1920.437 where: short stacking energy: -749.055 Base-Backbone interact. energy: -0.562 local terms energy: -739.803488 where: bonds (distance) C4'-P energy: -129.983 bonds (distance) P-C4' energy: -131.940 flat angles C4'-P-C4' energy: -153.486 flat angles P-C4'-P energy: -107.959 tors. eta vs tors. theta energy: -216.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2620.473511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.473511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.473511 (E_RNA) where: Base-Base interactions energy: -1868.733 where: short stacking energy: -763.425 Base-Backbone interact. energy: -2.459 local terms energy: -749.281531 where: bonds (distance) C4'-P energy: -128.384 bonds (distance) P-C4' energy: -130.207 flat angles C4'-P-C4' energy: -165.632 flat angles P-C4'-P energy: -96.162 tors. eta vs tors. theta energy: -228.897 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: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2530.771797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.771797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.771797 (E_RNA) where: Base-Base interactions energy: -1795.864 where: short stacking energy: -740.146 Base-Backbone interact. energy: -0.824 local terms energy: -734.084277 where: bonds (distance) C4'-P energy: -122.596 bonds (distance) P-C4' energy: -114.567 flat angles C4'-P-C4' energy: -164.183 flat angles P-C4'-P energy: -98.966 tors. eta vs tors. theta energy: -233.773 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: 231 Temperature: 1.050000 Total energy: -2478.794533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.794533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.794533 (E_RNA) where: Base-Base interactions energy: -1735.584 where: short stacking energy: -715.914 Base-Backbone interact. energy: -1.909 local terms energy: -741.301524 where: bonds (distance) C4'-P energy: -135.991 bonds (distance) P-C4' energy: -141.875 flat angles C4'-P-C4' energy: -145.147 flat angles P-C4'-P energy: -102.016 tors. eta vs tors. theta energy: -216.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2294.431523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.431523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.431523 (E_RNA) where: Base-Base interactions energy: -1609.972 where: short stacking energy: -674.213 Base-Backbone interact. energy: -0.847 local terms energy: -683.612753 where: bonds (distance) C4'-P energy: -102.585 bonds (distance) P-C4' energy: -135.584 flat angles C4'-P-C4' energy: -142.040 flat angles P-C4'-P energy: -94.589 tors. eta vs tors. theta energy: -208.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2079.727438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.727438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.727438 (E_RNA) where: Base-Base interactions energy: -1462.202 where: short stacking energy: -625.115 Base-Backbone interact. energy: 1.746 local terms energy: -619.270861 where: bonds (distance) C4'-P energy: -104.206 bonds (distance) P-C4' energy: -107.631 flat angles C4'-P-C4' energy: -131.311 flat angles P-C4'-P energy: -88.855 tors. eta vs tors. theta energy: -187.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1931.287099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.287099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.287099 (E_RNA) where: Base-Base interactions energy: -1359.345 where: short stacking energy: -579.588 Base-Backbone interact. energy: -2.560 local terms energy: -569.381711 where: bonds (distance) C4'-P energy: -117.536 bonds (distance) P-C4' energy: -107.741 flat angles C4'-P-C4' energy: -126.093 flat angles P-C4'-P energy: -71.990 tors. eta vs tors. theta energy: -146.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1998.874322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.874322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.874322 (E_RNA) where: Base-Base interactions energy: -1423.508 where: short stacking energy: -566.017 Base-Backbone interact. energy: 0.462 local terms energy: -575.828785 where: bonds (distance) C4'-P energy: -93.201 bonds (distance) P-C4' energy: -108.440 flat angles C4'-P-C4' energy: -128.092 flat angles P-C4'-P energy: -83.384 tors. eta vs tors. theta energy: -162.711 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: 231 Temperature: 1.300000 Total energy: -1406.572689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.572689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.572689 (E_RNA) where: Base-Base interactions energy: -913.227 where: short stacking energy: -378.913 Base-Backbone interact. energy: 1.117 local terms energy: -494.463604 where: bonds (distance) C4'-P energy: -113.827 bonds (distance) P-C4' energy: -121.237 flat angles C4'-P-C4' energy: -108.759 flat angles P-C4'-P energy: -79.249 tors. eta vs tors. theta energy: -71.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -853.139981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.139981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.139981 (E_RNA) where: Base-Base interactions energy: -448.727 where: short stacking energy: -222.907 Base-Backbone interact. energy: -0.669 local terms energy: -403.744732 where: bonds (distance) C4'-P energy: -121.174 bonds (distance) P-C4' energy: -125.314 flat angles C4'-P-C4' energy: -107.343 flat angles P-C4'-P energy: -35.832 tors. eta vs tors. theta energy: -14.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2661.805772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.805772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.805772 (E_RNA) where: Base-Base interactions energy: -1908.659 where: short stacking energy: -751.304 Base-Backbone interact. energy: -4.258 local terms energy: -748.888486 where: bonds (distance) C4'-P energy: -137.063 bonds (distance) P-C4' energy: -131.923 flat angles C4'-P-C4' energy: -154.187 flat angles P-C4'-P energy: -98.860 tors. eta vs tors. theta energy: -226.855 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: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2615.711393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.711393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.711393 (E_RNA) where: Base-Base interactions energy: -1856.887 where: short stacking energy: -753.909 Base-Backbone interact. energy: -1.728 local terms energy: -757.096497 where: bonds (distance) C4'-P energy: -131.510 bonds (distance) P-C4' energy: -138.988 flat angles C4'-P-C4' energy: -153.153 flat angles P-C4'-P energy: -100.292 tors. eta vs tors. theta energy: -233.152 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: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2542.441519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.441519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.441519 (E_RNA) where: Base-Base interactions energy: -1790.026 where: short stacking energy: -738.447 Base-Backbone interact. energy: -2.042 local terms energy: -750.373927 where: bonds (distance) C4'-P energy: -131.625 bonds (distance) P-C4' energy: -129.837 flat angles C4'-P-C4' energy: -149.090 flat angles P-C4'-P energy: -107.914 tors. eta vs tors. theta energy: -231.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2435.138993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.138993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.138993 (E_RNA) where: Base-Base interactions energy: -1705.043 where: short stacking energy: -689.295 Base-Backbone interact. energy: -2.522 local terms energy: -727.573226 where: bonds (distance) C4'-P energy: -127.961 bonds (distance) P-C4' energy: -127.398 flat angles C4'-P-C4' energy: -147.122 flat angles P-C4'-P energy: -110.252 tors. eta vs tors. theta energy: -214.840 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: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2285.391934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.391934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.391934 (E_RNA) where: Base-Base interactions energy: -1608.870 where: short stacking energy: -658.534 Base-Backbone interact. energy: 0.387 local terms energy: -676.908816 where: bonds (distance) C4'-P energy: -116.576 bonds (distance) P-C4' energy: -111.503 flat angles C4'-P-C4' energy: -140.415 flat angles P-C4'-P energy: -101.471 tors. eta vs tors. theta energy: -206.944 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: 7 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2069.810092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.810092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.810092 (E_RNA) where: Base-Base interactions energy: -1460.792 where: short stacking energy: -619.019 Base-Backbone interact. energy: -4.756 local terms energy: -604.262014 where: bonds (distance) C4'-P energy: -105.003 bonds (distance) P-C4' energy: -104.414 flat angles C4'-P-C4' energy: -128.626 flat angles P-C4'-P energy: -84.052 tors. eta vs tors. theta energy: -182.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -2048.893166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.893166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.893166 (E_RNA) where: Base-Base interactions energy: -1409.351 where: short stacking energy: -573.636 Base-Backbone interact. energy: -2.397 local terms energy: -637.145670 where: bonds (distance) C4'-P energy: -118.807 bonds (distance) P-C4' energy: -145.115 flat angles C4'-P-C4' energy: -126.677 flat angles P-C4'-P energy: -75.221 tors. eta vs tors. theta energy: -171.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1908.440282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.440282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.440282 (E_RNA) where: Base-Base interactions energy: -1330.812 where: short stacking energy: -543.103 Base-Backbone interact. energy: -2.981 local terms energy: -574.647019 where: bonds (distance) C4'-P energy: -113.710 bonds (distance) P-C4' energy: -115.635 flat angles C4'-P-C4' energy: -117.630 flat angles P-C4'-P energy: -81.991 tors. eta vs tors. theta energy: -145.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1430.217785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.217785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.217785 (E_RNA) where: Base-Base interactions energy: -939.701 where: short stacking energy: -407.623 Base-Backbone interact. energy: -2.466 local terms energy: -488.050700 where: bonds (distance) C4'-P energy: -86.994 bonds (distance) P-C4' energy: -118.739 flat angles C4'-P-C4' energy: -114.707 flat angles P-C4'-P energy: -72.991 tors. eta vs tors. theta energy: -94.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -864.984434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.984434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.984434 (E_RNA) where: Base-Base interactions energy: -466.340 where: short stacking energy: -227.363 Base-Backbone interact. energy: 0.313 local terms energy: -398.957174 where: bonds (distance) C4'-P energy: -90.960 bonds (distance) P-C4' energy: -114.061 flat angles C4'-P-C4' energy: -91.088 flat angles P-C4'-P energy: -73.756 tors. eta vs tors. theta energy: -29.092 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: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2679.415923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.415923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.415923 (E_RNA) where: Base-Base interactions energy: -1937.389 where: short stacking energy: -756.631 Base-Backbone interact. energy: -2.871 local terms energy: -739.155574 where: bonds (distance) C4'-P energy: -128.447 bonds (distance) P-C4' energy: -133.505 flat angles C4'-P-C4' energy: -147.777 flat angles P-C4'-P energy: -102.163 tors. eta vs tors. theta energy: -227.263 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: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2637.227044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.227044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.227044 (E_RNA) where: Base-Base interactions energy: -1881.604 where: short stacking energy: -770.330 Base-Backbone interact. energy: -4.721 local terms energy: -750.902680 where: bonds (distance) C4'-P energy: -122.553 bonds (distance) P-C4' energy: -130.434 flat angles C4'-P-C4' energy: -165.202 flat angles P-C4'-P energy: -99.312 tors. eta vs tors. theta energy: -233.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2562.014962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.014962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.014962 (E_RNA) where: Base-Base interactions energy: -1804.691 where: short stacking energy: -744.492 Base-Backbone interact. energy: 2.461 local terms energy: -759.784802 where: bonds (distance) C4'-P energy: -128.981 bonds (distance) P-C4' energy: -135.229 flat angles C4'-P-C4' energy: -154.915 flat angles P-C4'-P energy: -104.897 tors. eta vs tors. theta energy: -235.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2457.445624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.445624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.445624 (E_RNA) where: Base-Base interactions energy: -1760.791 where: short stacking energy: -707.120 Base-Backbone interact. energy: 2.532 local terms energy: -699.187293 where: bonds (distance) C4'-P energy: -128.100 bonds (distance) P-C4' energy: -118.299 flat angles C4'-P-C4' energy: -150.719 flat angles P-C4'-P energy: -86.664 tors. eta vs tors. theta energy: -215.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2298.827190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.827190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.827190 (E_RNA) where: Base-Base interactions energy: -1628.537 where: short stacking energy: -672.491 Base-Backbone interact. energy: 1.306 local terms energy: -671.595970 where: bonds (distance) C4'-P energy: -105.107 bonds (distance) P-C4' energy: -119.829 flat angles C4'-P-C4' energy: -142.919 flat angles P-C4'-P energy: -88.724 tors. eta vs tors. theta energy: -215.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2042.243246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.243246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.243246 (E_RNA) where: Base-Base interactions energy: -1410.031 where: short stacking energy: -607.783 Base-Backbone interact. energy: -2.399 local terms energy: -629.813581 where: bonds (distance) C4'-P energy: -120.395 bonds (distance) P-C4' energy: -107.682 flat angles C4'-P-C4' energy: -137.569 flat angles P-C4'-P energy: -85.567 tors. eta vs tors. theta energy: -178.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -2149.821952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.821952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.821952 (E_RNA) where: Base-Base interactions energy: -1527.665 where: short stacking energy: -619.372 Base-Backbone interact. energy: -2.363 local terms energy: -619.793818 where: bonds (distance) C4'-P energy: -109.716 bonds (distance) P-C4' energy: -101.749 flat angles C4'-P-C4' energy: -127.539 flat angles P-C4'-P energy: -84.752 tors. eta vs tors. theta energy: -196.038 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: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1867.555886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.555886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.555886 (E_RNA) where: Base-Base interactions energy: -1300.124 where: short stacking energy: -527.840 Base-Backbone interact. energy: -1.784 local terms energy: -565.647913 where: bonds (distance) C4'-P energy: -106.109 bonds (distance) P-C4' energy: -116.665 flat angles C4'-P-C4' energy: -123.989 flat angles P-C4'-P energy: -78.891 tors. eta vs tors. theta energy: -139.994 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: 233 Temperature: 1.300000 Total energy: -1478.734057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.734057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.734057 (E_RNA) where: Base-Base interactions energy: -974.660 where: short stacking energy: -430.908 Base-Backbone interact. energy: -2.182 local terms energy: -501.892342 where: bonds (distance) C4'-P energy: -107.725 bonds (distance) P-C4' energy: -106.590 flat angles C4'-P-C4' energy: -122.857 flat angles P-C4'-P energy: -72.917 tors. eta vs tors. theta energy: -91.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -824.391321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.391321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.391321 (E_RNA) where: Base-Base interactions energy: -445.530 where: short stacking energy: -256.642 Base-Backbone interact. energy: -0.414 local terms energy: -378.447216 where: bonds (distance) C4'-P energy: -123.612 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -84.126 flat angles P-C4'-P energy: -56.259 tors. eta vs tors. theta energy: -10.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2693.897264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.897264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.897264 (E_RNA) where: Base-Base interactions energy: -1944.265 where: short stacking energy: -745.833 Base-Backbone interact. energy: -1.590 local terms energy: -748.042044 where: bonds (distance) C4'-P energy: -123.036 bonds (distance) P-C4' energy: -129.245 flat angles C4'-P-C4' energy: -161.942 flat angles P-C4'-P energy: -119.881 tors. eta vs tors. theta energy: -213.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2603.588697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.588697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.588697 (E_RNA) where: Base-Base interactions energy: -1866.434 where: short stacking energy: -760.851 Base-Backbone interact. energy: -1.976 local terms energy: -735.178081 where: bonds (distance) C4'-P energy: -127.486 bonds (distance) P-C4' energy: -130.645 flat angles C4'-P-C4' energy: -157.480 flat angles P-C4'-P energy: -97.608 tors. eta vs tors. theta energy: -221.959 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: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2530.387594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.387594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.387594 (E_RNA) where: Base-Base interactions energy: -1778.766 where: short stacking energy: -749.414 Base-Backbone interact. energy: 0.497 local terms energy: -752.118647 where: bonds (distance) C4'-P energy: -131.394 bonds (distance) P-C4' energy: -128.047 flat angles C4'-P-C4' energy: -163.085 flat angles P-C4'-P energy: -102.147 tors. eta vs tors. theta energy: -227.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2443.665965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.665965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.665965 (E_RNA) where: Base-Base interactions energy: -1719.166 where: short stacking energy: -685.217 Base-Backbone interact. energy: 1.380 local terms energy: -725.880658 where: bonds (distance) C4'-P energy: -134.651 bonds (distance) P-C4' energy: -120.961 flat angles C4'-P-C4' energy: -153.543 flat angles P-C4'-P energy: -111.198 tors. eta vs tors. theta energy: -205.528 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: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2327.488858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.488858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.488858 (E_RNA) where: Base-Base interactions energy: -1629.215 where: short stacking energy: -661.006 Base-Backbone interact. energy: 2.360 local terms energy: -700.634487 where: bonds (distance) C4'-P energy: -128.126 bonds (distance) P-C4' energy: -121.400 flat angles C4'-P-C4' energy: -153.916 flat angles P-C4'-P energy: -85.979 tors. eta vs tors. theta energy: -211.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2057.042884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.042884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.042884 (E_RNA) where: Base-Base interactions energy: -1415.273 where: short stacking energy: -607.402 Base-Backbone interact. energy: 0.707 local terms energy: -642.476467 where: bonds (distance) C4'-P energy: -113.901 bonds (distance) P-C4' energy: -114.477 flat angles C4'-P-C4' energy: -138.806 flat angles P-C4'-P energy: -99.279 tors. eta vs tors. theta energy: -176.014 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: 7, replica: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2134.685729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.685729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.685729 (E_RNA) where: Base-Base interactions energy: -1485.581 where: short stacking energy: -599.361 Base-Backbone interact. energy: -1.265 local terms energy: -647.840103 where: bonds (distance) C4'-P energy: -114.916 bonds (distance) P-C4' energy: -128.276 flat angles C4'-P-C4' energy: -135.640 flat angles P-C4'-P energy: -90.364 tors. eta vs tors. theta energy: -178.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1823.401847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.401847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.401847 (E_RNA) where: Base-Base interactions energy: -1263.480 where: short stacking energy: -515.020 Base-Backbone interact. energy: -2.035 local terms energy: -557.886836 where: bonds (distance) C4'-P energy: -104.301 bonds (distance) P-C4' energy: -101.436 flat angles C4'-P-C4' energy: -130.952 flat angles P-C4'-P energy: -86.966 tors. eta vs tors. theta energy: -134.231 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: 234 Temperature: 1.300000 Total energy: -1321.955996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.955996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.955996 (E_RNA) where: Base-Base interactions energy: -892.439 where: short stacking energy: -405.167 Base-Backbone interact. energy: -0.113 local terms energy: -429.403985 where: bonds (distance) C4'-P energy: -88.481 bonds (distance) P-C4' energy: -98.673 flat angles C4'-P-C4' energy: -112.746 flat angles P-C4'-P energy: -53.506 tors. eta vs tors. theta energy: -75.997 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: 6 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -931.568049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.568049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.568049 (E_RNA) where: Base-Base interactions energy: -491.734 where: short stacking energy: -247.702 Base-Backbone interact. energy: 0.113 local terms energy: -439.947299 where: bonds (distance) C4'-P energy: -105.236 bonds (distance) P-C4' energy: -128.104 flat angles C4'-P-C4' energy: -105.515 flat angles P-C4'-P energy: -66.924 tors. eta vs tors. theta energy: -34.169 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: 8 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2685.639150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.639150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.639150 (E_RNA) where: Base-Base interactions energy: -1924.930 where: short stacking energy: -739.325 Base-Backbone interact. energy: -1.530 local terms energy: -759.179131 where: bonds (distance) C4'-P energy: -123.034 bonds (distance) P-C4' energy: -151.048 flat angles C4'-P-C4' energy: -158.141 flat angles P-C4'-P energy: -109.229 tors. eta vs tors. theta energy: -217.726 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: 235 Temperature: 0.950000 Total energy: -2629.149141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.149141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.149141 (E_RNA) where: Base-Base interactions energy: -1899.361 where: short stacking energy: -782.127 Base-Backbone interact. energy: -2.498 local terms energy: -727.290393 where: bonds (distance) C4'-P energy: -118.875 bonds (distance) P-C4' energy: -111.316 flat angles C4'-P-C4' energy: -162.706 flat angles P-C4'-P energy: -97.427 tors. eta vs tors. theta energy: -236.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2546.448355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.448355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.448355 (E_RNA) where: Base-Base interactions energy: -1798.988 where: short stacking energy: -729.707 Base-Backbone interact. energy: -1.220 local terms energy: -746.239874 where: bonds (distance) C4'-P energy: -134.091 bonds (distance) P-C4' energy: -143.207 flat angles C4'-P-C4' energy: -140.881 flat angles P-C4'-P energy: -109.372 tors. eta vs tors. theta energy: -218.688 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: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2378.601783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.601783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.601783 (E_RNA) where: Base-Base interactions energy: -1673.599 where: short stacking energy: -681.769 Base-Backbone interact. energy: -1.423 local terms energy: -703.579889 where: bonds (distance) C4'-P energy: -124.319 bonds (distance) P-C4' energy: -128.284 flat angles C4'-P-C4' energy: -149.250 flat angles P-C4'-P energy: -93.786 tors. eta vs tors. theta energy: -207.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2374.671105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.671105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.671105 (E_RNA) where: Base-Base interactions energy: -1689.378 where: short stacking energy: -667.735 Base-Backbone interact. energy: -1.412 local terms energy: -683.881548 where: bonds (distance) C4'-P energy: -103.608 bonds (distance) P-C4' energy: -114.279 flat angles C4'-P-C4' energy: -144.455 flat angles P-C4'-P energy: -112.281 tors. eta vs tors. theta energy: -209.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2193.045999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.045999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.045999 (E_RNA) where: Base-Base interactions energy: -1540.888 where: short stacking energy: -616.815 Base-Backbone interact. energy: -1.652 local terms energy: -650.506303 where: bonds (distance) C4'-P energy: -117.881 bonds (distance) P-C4' energy: -116.722 flat angles C4'-P-C4' energy: -142.473 flat angles P-C4'-P energy: -85.943 tors. eta vs tors. theta energy: -187.487 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: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1952.288646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.288646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.288646 (E_RNA) where: Base-Base interactions energy: -1348.003 where: short stacking energy: -565.457 Base-Backbone interact. energy: -4.284 local terms energy: -600.001577 where: bonds (distance) C4'-P energy: -104.464 bonds (distance) P-C4' energy: -131.182 flat angles C4'-P-C4' energy: -126.094 flat angles P-C4'-P energy: -82.039 tors. eta vs tors. theta energy: -156.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1878.116599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.116599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.116599 (E_RNA) where: Base-Base interactions energy: -1316.165 where: short stacking energy: -544.480 Base-Backbone interact. energy: -0.858 local terms energy: -561.094122 where: bonds (distance) C4'-P energy: -114.504 bonds (distance) P-C4' energy: -106.768 flat angles C4'-P-C4' energy: -109.239 flat angles P-C4'-P energy: -79.797 tors. eta vs tors. theta energy: -150.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1375.494197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.494197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.494197 (E_RNA) where: Base-Base interactions energy: -904.375 where: short stacking energy: -394.103 Base-Backbone interact. energy: 2.510 local terms energy: -473.628963 where: bonds (distance) C4'-P energy: -109.059 bonds (distance) P-C4' energy: -102.093 flat angles C4'-P-C4' energy: -101.163 flat angles P-C4'-P energy: -64.628 tors. eta vs tors. theta energy: -96.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -934.353325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.353325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.353325 (E_RNA) where: Base-Base interactions energy: -533.489 where: short stacking energy: -273.316 Base-Backbone interact. energy: 0.311 local terms energy: -401.175736 where: bonds (distance) C4'-P energy: -101.792 bonds (distance) P-C4' energy: -111.844 flat angles C4'-P-C4' energy: -90.439 flat angles P-C4'-P energy: -56.056 tors. eta vs tors. theta energy: -41.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2707.741691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.741691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.741691 (E_RNA) where: Base-Base interactions energy: -1939.777 where: short stacking energy: -763.503 Base-Backbone interact. energy: -4.270 local terms energy: -763.695410 where: bonds (distance) C4'-P energy: -143.587 bonds (distance) P-C4' energy: -143.436 flat angles C4'-P-C4' energy: -142.975 flat angles P-C4'-P energy: -106.878 tors. eta vs tors. theta energy: -226.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2634.927325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.927325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.927325 (E_RNA) where: Base-Base interactions energy: -1900.154 where: short stacking energy: -763.260 Base-Backbone interact. energy: 1.082 local terms energy: -735.855855 where: bonds (distance) C4'-P energy: -120.542 bonds (distance) P-C4' energy: -132.978 flat angles C4'-P-C4' energy: -143.157 flat angles P-C4'-P energy: -113.965 tors. eta vs tors. theta energy: -225.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2514.653856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.653856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.653856 (E_RNA) where: Base-Base interactions energy: -1791.862 where: short stacking energy: -729.622 Base-Backbone interact. energy: -0.694 local terms energy: -722.097104 where: bonds (distance) C4'-P energy: -117.954 bonds (distance) P-C4' energy: -138.649 flat angles C4'-P-C4' energy: -143.995 flat angles P-C4'-P energy: -94.857 tors. eta vs tors. theta energy: -226.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2394.376695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.376695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.376695 (E_RNA) where: Base-Base interactions energy: -1721.583 where: short stacking energy: -718.128 Base-Backbone interact. energy: -0.843 local terms energy: -671.951020 where: bonds (distance) C4'-P energy: -108.018 bonds (distance) P-C4' energy: -100.481 flat angles C4'-P-C4' energy: -147.582 flat angles P-C4'-P energy: -96.283 tors. eta vs tors. theta energy: -219.587 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: 236 Temperature: 1.100000 Total energy: -2440.845671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.845671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.845671 (E_RNA) where: Base-Base interactions energy: -1732.085 where: short stacking energy: -681.890 Base-Backbone interact. energy: -0.978 local terms energy: -707.782917 where: bonds (distance) C4'-P energy: -124.180 bonds (distance) P-C4' energy: -121.476 flat angles C4'-P-C4' energy: -147.808 flat angles P-C4'-P energy: -101.478 tors. eta vs tors. theta energy: -212.841 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: 236 Temperature: 1.150000 Total energy: -2181.354811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.354811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.354811 (E_RNA) where: Base-Base interactions energy: -1529.739 where: short stacking energy: -618.302 Base-Backbone interact. energy: -2.106 local terms energy: -649.509373 where: bonds (distance) C4'-P energy: -122.734 bonds (distance) P-C4' energy: -106.625 flat angles C4'-P-C4' energy: -145.296 flat angles P-C4'-P energy: -95.108 tors. eta vs tors. theta energy: -179.746 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: 7, replica: 7 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1986.625404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.625404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.625404 (E_RNA) where: Base-Base interactions energy: -1366.288 where: short stacking energy: -566.067 Base-Backbone interact. energy: -1.978 local terms energy: -618.360049 where: bonds (distance) C4'-P energy: -107.963 bonds (distance) P-C4' energy: -107.840 flat angles C4'-P-C4' energy: -142.577 flat angles P-C4'-P energy: -84.818 tors. eta vs tors. theta energy: -175.161 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: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1889.791645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.791645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.791645 (E_RNA) where: Base-Base interactions energy: -1303.913 where: short stacking energy: -555.864 Base-Backbone interact. energy: -2.193 local terms energy: -583.685661 where: bonds (distance) C4'-P energy: -116.227 bonds (distance) P-C4' energy: -108.678 flat angles C4'-P-C4' energy: -125.136 flat angles P-C4'-P energy: -80.204 tors. eta vs tors. theta energy: -153.440 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: 236 Temperature: 1.300000 Total energy: -1281.121727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.121727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.121727 (E_RNA) where: Base-Base interactions energy: -828.059 where: short stacking energy: -361.136 Base-Backbone interact. energy: -2.343 local terms energy: -450.719376 where: bonds (distance) C4'-P energy: -94.666 bonds (distance) P-C4' energy: -112.056 flat angles C4'-P-C4' energy: -103.411 flat angles P-C4'-P energy: -67.175 tors. eta vs tors. theta energy: -73.412 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: 6 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -907.286139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.286139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.286139 (E_RNA) where: Base-Base interactions energy: -525.046 where: short stacking energy: -249.641 Base-Backbone interact. energy: 5.498 local terms energy: -387.738170 where: bonds (distance) C4'-P energy: -102.564 bonds (distance) P-C4' energy: -115.044 flat angles C4'-P-C4' energy: -108.843 flat angles P-C4'-P energy: -47.216 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: 1, replica: 8 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2698.925484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.925484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.925484 (E_RNA) where: Base-Base interactions energy: -1948.106 where: short stacking energy: -765.888 Base-Backbone interact. energy: 0.874 local terms energy: -751.693468 where: bonds (distance) C4'-P energy: -121.983 bonds (distance) P-C4' energy: -144.394 flat angles C4'-P-C4' energy: -155.564 flat angles P-C4'-P energy: -101.421 tors. eta vs tors. theta energy: -228.331 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: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2612.544834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.544834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.544834 (E_RNA) where: Base-Base interactions energy: -1852.381 where: short stacking energy: -762.354 Base-Backbone interact. energy: -2.313 local terms energy: -757.851140 where: bonds (distance) C4'-P energy: -130.440 bonds (distance) P-C4' energy: -131.338 flat angles C4'-P-C4' energy: -160.151 flat angles P-C4'-P energy: -109.673 tors. eta vs tors. theta energy: -226.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2502.166196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.166196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.166196 (E_RNA) where: Base-Base interactions energy: -1785.860 where: short stacking energy: -730.028 Base-Backbone interact. energy: 2.353 local terms energy: -718.659545 where: bonds (distance) C4'-P energy: -109.592 bonds (distance) P-C4' energy: -130.800 flat angles C4'-P-C4' energy: -150.974 flat angles P-C4'-P energy: -106.340 tors. eta vs tors. theta energy: -220.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2520.950725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.950725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.950725 (E_RNA) where: Base-Base interactions energy: -1798.232 where: short stacking energy: -731.576 Base-Backbone interact. energy: -2.827 local terms energy: -719.891782 where: bonds (distance) C4'-P energy: -126.027 bonds (distance) P-C4' energy: -125.869 flat angles C4'-P-C4' energy: -152.448 flat angles P-C4'-P energy: -85.489 tors. eta vs tors. theta energy: -230.060 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: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2341.159112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.159112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.159112 (E_RNA) where: Base-Base interactions energy: -1667.248 where: short stacking energy: -702.821 Base-Backbone interact. energy: -0.342 local terms energy: -673.568287 where: bonds (distance) C4'-P energy: -107.427 bonds (distance) P-C4' energy: -124.941 flat angles C4'-P-C4' energy: -134.364 flat angles P-C4'-P energy: -85.280 tors. eta vs tors. theta energy: -221.556 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: 5 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2189.758316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.758316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.758316 (E_RNA) where: Base-Base interactions energy: -1555.324 where: short stacking energy: -645.912 Base-Backbone interact. energy: -0.247 local terms energy: -634.187497 where: bonds (distance) C4'-P energy: -114.706 bonds (distance) P-C4' energy: -120.807 flat angles C4'-P-C4' energy: -128.977 flat angles P-C4'-P energy: -75.274 tors. eta vs tors. theta energy: -194.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1948.120974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.120974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.120974 (E_RNA) where: Base-Base interactions energy: -1366.390 where: short stacking energy: -550.799 Base-Backbone interact. energy: -2.757 local terms energy: -578.974094 where: bonds (distance) C4'-P energy: -115.175 bonds (distance) P-C4' energy: -119.994 flat angles C4'-P-C4' energy: -129.212 flat angles P-C4'-P energy: -68.784 tors. eta vs tors. theta energy: -145.809 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: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1815.684709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.684709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.684709 (E_RNA) where: Base-Base interactions energy: -1221.582 where: short stacking energy: -533.344 Base-Backbone interact. energy: -1.261 local terms energy: -592.841883 where: bonds (distance) C4'-P energy: -122.454 bonds (distance) P-C4' energy: -106.087 flat angles C4'-P-C4' energy: -131.160 flat angles P-C4'-P energy: -78.061 tors. eta vs tors. theta energy: -155.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1268.999944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.999944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.999944 (E_RNA) where: Base-Base interactions energy: -814.430 where: short stacking energy: -354.765 Base-Backbone interact. energy: -2.030 local terms energy: -452.540542 where: bonds (distance) C4'-P energy: -111.983 bonds (distance) P-C4' energy: -105.061 flat angles C4'-P-C4' energy: -104.442 flat angles P-C4'-P energy: -55.918 tors. eta vs tors. theta energy: -75.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -938.027605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.027605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.027605 (E_RNA) where: Base-Base interactions energy: -548.693 where: short stacking energy: -262.250 Base-Backbone interact. energy: 2.348 local terms energy: -391.682542 where: bonds (distance) C4'-P energy: -92.546 bonds (distance) P-C4' energy: -93.545 flat angles C4'-P-C4' energy: -119.966 flat angles P-C4'-P energy: -61.275 tors. eta vs tors. theta energy: -24.350 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: 1, replica: 8 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2692.571247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.571247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.571247 (E_RNA) where: Base-Base interactions energy: -1929.083 where: short stacking energy: -752.594 Base-Backbone interact. energy: -2.047 local terms energy: -761.441039 where: bonds (distance) C4'-P energy: -129.071 bonds (distance) P-C4' energy: -145.761 flat angles C4'-P-C4' energy: -169.063 flat angles P-C4'-P energy: -100.131 tors. eta vs tors. theta energy: -217.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2630.126107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.126107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.126107 (E_RNA) where: Base-Base interactions energy: -1869.449 where: short stacking energy: -777.849 Base-Backbone interact. energy: -1.737 local terms energy: -758.940075 where: bonds (distance) C4'-P energy: -127.010 bonds (distance) P-C4' energy: -138.158 flat angles C4'-P-C4' energy: -159.419 flat angles P-C4'-P energy: -101.652 tors. eta vs tors. theta energy: -232.701 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: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2516.949950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.949950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.949950 (E_RNA) where: Base-Base interactions energy: -1783.836 where: short stacking energy: -719.563 Base-Backbone interact. energy: -1.058 local terms energy: -732.055888 where: bonds (distance) C4'-P energy: -126.845 bonds (distance) P-C4' energy: -108.372 flat angles C4'-P-C4' energy: -160.455 flat angles P-C4'-P energy: -106.179 tors. eta vs tors. theta energy: -230.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2483.226913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.226913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.226913 (E_RNA) where: Base-Base interactions energy: -1771.981 where: short stacking energy: -707.260 Base-Backbone interact. energy: -2.614 local terms energy: -708.632369 where: bonds (distance) C4'-P energy: -109.443 bonds (distance) P-C4' energy: -134.550 flat angles C4'-P-C4' energy: -143.677 flat angles P-C4'-P energy: -90.097 tors. eta vs tors. theta energy: -230.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2341.783750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.783750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.783750 (E_RNA) where: Base-Base interactions energy: -1653.434 where: short stacking energy: -677.695 Base-Backbone interact. energy: -2.649 local terms energy: -685.701181 where: bonds (distance) C4'-P energy: -116.774 bonds (distance) P-C4' energy: -120.384 flat angles C4'-P-C4' energy: -148.143 flat angles P-C4'-P energy: -91.427 tors. eta vs tors. theta energy: -208.972 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: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2159.080004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.080004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.080004 (E_RNA) where: Base-Base interactions energy: -1527.844 where: short stacking energy: -644.971 Base-Backbone interact. energy: 2.147 local terms energy: -633.382433 where: bonds (distance) C4'-P energy: -118.642 bonds (distance) P-C4' energy: -96.393 flat angles C4'-P-C4' energy: -135.606 flat angles P-C4'-P energy: -91.144 tors. eta vs tors. theta energy: -191.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1890.203676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.203676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.203676 (E_RNA) where: Base-Base interactions energy: -1316.655 where: short stacking energy: -567.932 Base-Backbone interact. energy: 0.639 local terms energy: -574.188509 where: bonds (distance) C4'-P energy: -96.252 bonds (distance) P-C4' energy: -105.084 flat angles C4'-P-C4' energy: -132.843 flat angles P-C4'-P energy: -86.777 tors. eta vs tors. theta energy: -153.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1821.263559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.263559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.263559 (E_RNA) where: Base-Base interactions energy: -1260.301 where: short stacking energy: -522.197 Base-Backbone interact. energy: -1.592 local terms energy: -559.370500 where: bonds (distance) C4'-P energy: -116.135 bonds (distance) P-C4' energy: -106.802 flat angles C4'-P-C4' energy: -123.356 flat angles P-C4'-P energy: -80.269 tors. eta vs tors. theta energy: -132.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1359.833618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.833618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.833618 (E_RNA) where: Base-Base interactions energy: -896.139 where: short stacking energy: -374.428 Base-Backbone interact. energy: 0.741 local terms energy: -464.435600 where: bonds (distance) C4'-P energy: -104.159 bonds (distance) P-C4' energy: -102.736 flat angles C4'-P-C4' energy: -115.243 flat angles P-C4'-P energy: -71.097 tors. eta vs tors. theta energy: -71.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -918.693373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.693373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.693373 (E_RNA) where: Base-Base interactions energy: -547.342 where: short stacking energy: -262.811 Base-Backbone interact. energy: -3.239 local terms energy: -368.111853 where: bonds (distance) C4'-P energy: -95.256 bonds (distance) P-C4' energy: -120.568 flat angles C4'-P-C4' energy: -99.461 flat angles P-C4'-P energy: -46.795 tors. eta vs tors. theta energy: -6.031 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: 8 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2690.808992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.808992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.808992 (E_RNA) where: Base-Base interactions energy: -1914.965 where: short stacking energy: -755.463 Base-Backbone interact. energy: -4.749 local terms energy: -771.095172 where: bonds (distance) C4'-P energy: -133.865 bonds (distance) P-C4' energy: -141.070 flat angles C4'-P-C4' energy: -157.152 flat angles P-C4'-P energy: -118.608 tors. eta vs tors. theta energy: -220.400 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: 1 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2586.587534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.587534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.587534 (E_RNA) where: Base-Base interactions energy: -1836.673 where: short stacking energy: -752.240 Base-Backbone interact. energy: -2.628 local terms energy: -747.286904 where: bonds (distance) C4'-P energy: -124.288 bonds (distance) P-C4' energy: -141.997 flat angles C4'-P-C4' energy: -150.763 flat angles P-C4'-P energy: -100.205 tors. eta vs tors. theta energy: -230.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2561.757847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.757847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.757847 (E_RNA) where: Base-Base interactions energy: -1826.566 where: short stacking energy: -730.605 Base-Backbone interact. energy: -0.385 local terms energy: -734.807228 where: bonds (distance) C4'-P energy: -124.000 bonds (distance) P-C4' energy: -123.578 flat angles C4'-P-C4' energy: -157.456 flat angles P-C4'-P energy: -106.403 tors. eta vs tors. theta energy: -223.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2483.031558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.031558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.031558 (E_RNA) where: Base-Base interactions energy: -1747.194 where: short stacking energy: -696.394 Base-Backbone interact. energy: -0.206 local terms energy: -735.631439 where: bonds (distance) C4'-P energy: -125.333 bonds (distance) P-C4' energy: -136.503 flat angles C4'-P-C4' energy: -151.525 flat angles P-C4'-P energy: -100.636 tors. eta vs tors. theta energy: -221.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2312.183341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.183341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.183341 (E_RNA) where: Base-Base interactions energy: -1648.885 where: short stacking energy: -690.198 Base-Backbone interact. energy: -1.288 local terms energy: -662.010379 where: bonds (distance) C4'-P energy: -119.274 bonds (distance) P-C4' energy: -102.837 flat angles C4'-P-C4' energy: -131.847 flat angles P-C4'-P energy: -94.168 tors. eta vs tors. theta energy: -213.885 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: 6, replica: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2173.243688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.243688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.243688 (E_RNA) where: Base-Base interactions energy: -1546.389 where: short stacking energy: -645.674 Base-Backbone interact. energy: -1.147 local terms energy: -625.708240 where: bonds (distance) C4'-P energy: -104.882 bonds (distance) P-C4' energy: -107.559 flat angles C4'-P-C4' energy: -139.540 flat angles P-C4'-P energy: -83.413 tors. eta vs tors. theta energy: -190.315 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: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1908.499961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.499961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.499961 (E_RNA) where: Base-Base interactions energy: -1279.171 where: short stacking energy: -557.736 Base-Backbone interact. energy: -0.753 local terms energy: -628.576479 where: bonds (distance) C4'-P energy: -104.237 bonds (distance) P-C4' energy: -132.200 flat angles C4'-P-C4' energy: -123.710 flat angles P-C4'-P energy: -102.969 tors. eta vs tors. theta energy: -165.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1779.856161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.856161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.856161 (E_RNA) where: Base-Base interactions energy: -1227.642 where: short stacking energy: -496.985 Base-Backbone interact. energy: -3.180 local terms energy: -549.034215 where: bonds (distance) C4'-P energy: -99.434 bonds (distance) P-C4' energy: -112.924 flat angles C4'-P-C4' energy: -129.152 flat angles P-C4'-P energy: -88.772 tors. eta vs tors. theta energy: -118.753 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: 9, replica: 3 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1298.765724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.765724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.765724 (E_RNA) where: Base-Base interactions energy: -849.012 where: short stacking energy: -370.278 Base-Backbone interact. energy: 3.447 local terms energy: -453.200823 where: bonds (distance) C4'-P energy: -99.275 bonds (distance) P-C4' energy: -110.773 flat angles C4'-P-C4' energy: -113.245 flat angles P-C4'-P energy: -57.329 tors. eta vs tors. theta energy: -72.579 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: 6 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -926.193851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.193851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.193851 (E_RNA) where: Base-Base interactions energy: -563.962 where: short stacking energy: -267.124 Base-Backbone interact. energy: 1.445 local terms energy: -363.676915 where: bonds (distance) C4'-P energy: -79.620 bonds (distance) P-C4' energy: -99.346 flat angles C4'-P-C4' energy: -102.654 flat angles P-C4'-P energy: -53.469 tors. eta vs tors. theta energy: -28.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2643.775873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.775873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.775873 (E_RNA) where: Base-Base interactions energy: -1862.494 where: short stacking energy: -766.458 Base-Backbone interact. energy: -0.434 local terms energy: -780.848053 where: bonds (distance) C4'-P energy: -140.130 bonds (distance) P-C4' energy: -124.316 flat angles C4'-P-C4' energy: -163.468 flat angles P-C4'-P energy: -116.383 tors. eta vs tors. theta energy: -236.552 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: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2634.728128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.728128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.728128 (E_RNA) where: Base-Base interactions energy: -1902.270 where: short stacking energy: -727.940 Base-Backbone interact. energy: -2.708 local terms energy: -729.750148 where: bonds (distance) C4'-P energy: -134.180 bonds (distance) P-C4' energy: -132.319 flat angles C4'-P-C4' energy: -154.390 flat angles P-C4'-P energy: -98.815 tors. eta vs tors. theta energy: -210.045 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: 3, replica: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2564.977828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.977828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.977828 (E_RNA) where: Base-Base interactions energy: -1827.558 where: short stacking energy: -731.233 Base-Backbone interact. energy: -1.634 local terms energy: -735.785588 where: bonds (distance) C4'-P energy: -127.149 bonds (distance) P-C4' energy: -136.805 flat angles C4'-P-C4' energy: -149.537 flat angles P-C4'-P energy: -101.391 tors. eta vs tors. theta energy: -220.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2493.279625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.279625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.279625 (E_RNA) where: Base-Base interactions energy: -1778.738 where: short stacking energy: -718.705 Base-Backbone interact. energy: -0.636 local terms energy: -713.905293 where: bonds (distance) C4'-P energy: -123.174 bonds (distance) P-C4' energy: -123.147 flat angles C4'-P-C4' energy: -144.205 flat angles P-C4'-P energy: -101.245 tors. eta vs tors. theta energy: -222.134 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: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2299.945988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.945988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.945988 (E_RNA) where: Base-Base interactions energy: -1643.200 where: short stacking energy: -695.984 Base-Backbone interact. energy: -3.165 local terms energy: -653.581636 where: bonds (distance) C4'-P energy: -86.848 bonds (distance) P-C4' energy: -126.977 flat angles C4'-P-C4' energy: -140.325 flat angles P-C4'-P energy: -95.510 tors. eta vs tors. theta energy: -203.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2119.509730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.509730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.509730 (E_RNA) where: Base-Base interactions energy: -1504.539 where: short stacking energy: -623.851 Base-Backbone interact. energy: -1.742 local terms energy: -613.228391 where: bonds (distance) C4'-P energy: -105.348 bonds (distance) P-C4' energy: -106.687 flat angles C4'-P-C4' energy: -136.094 flat angles P-C4'-P energy: -86.130 tors. eta vs tors. theta energy: -178.968 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: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1917.100595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.100595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.100595 (E_RNA) where: Base-Base interactions energy: -1329.485 where: short stacking energy: -562.069 Base-Backbone interact. energy: 0.496 local terms energy: -588.111507 where: bonds (distance) C4'-P energy: -104.407 bonds (distance) P-C4' energy: -114.810 flat angles C4'-P-C4' energy: -124.324 flat angles P-C4'-P energy: -88.505 tors. eta vs tors. theta energy: -156.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1772.561746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.561746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.561746 (E_RNA) where: Base-Base interactions energy: -1199.714 where: short stacking energy: -504.365 Base-Backbone interact. energy: -0.463 local terms energy: -572.384987 where: bonds (distance) C4'-P energy: -117.045 bonds (distance) P-C4' energy: -105.615 flat angles C4'-P-C4' energy: -120.469 flat angles P-C4'-P energy: -81.656 tors. eta vs tors. theta energy: -147.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1321.775113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.775113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.775113 (E_RNA) where: Base-Base interactions energy: -892.963 where: short stacking energy: -371.006 Base-Backbone interact. energy: 0.706 local terms energy: -429.517958 where: bonds (distance) C4'-P energy: -103.083 bonds (distance) P-C4' energy: -102.544 flat angles C4'-P-C4' energy: -108.223 flat angles P-C4'-P energy: -59.105 tors. eta vs tors. theta energy: -56.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -907.470475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.470475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.470475 (E_RNA) where: Base-Base interactions energy: -522.488 where: short stacking energy: -237.166 Base-Backbone interact. energy: -1.214 local terms energy: -383.768921 where: bonds (distance) C4'-P energy: -102.237 bonds (distance) P-C4' energy: -112.103 flat angles C4'-P-C4' energy: -99.995 flat angles P-C4'-P energy: -54.239 tors. eta vs tors. theta energy: -15.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2639.373745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.373745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.373745 (E_RNA) where: Base-Base interactions energy: -1867.018 where: short stacking energy: -789.241 Base-Backbone interact. energy: -0.443 local terms energy: -771.912870 where: bonds (distance) C4'-P energy: -129.364 bonds (distance) P-C4' energy: -137.547 flat angles C4'-P-C4' energy: -162.289 flat angles P-C4'-P energy: -107.734 tors. eta vs tors. theta energy: -234.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2638.482074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.482074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.482074 (E_RNA) where: Base-Base interactions energy: -1923.955 where: short stacking energy: -763.111 Base-Backbone interact. energy: -4.102 local terms energy: -710.424798 where: bonds (distance) C4'-P energy: -114.982 bonds (distance) P-C4' energy: -124.730 flat angles C4'-P-C4' energy: -149.048 flat angles P-C4'-P energy: -104.985 tors. eta vs tors. theta energy: -216.680 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: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2547.979952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.979952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.979952 (E_RNA) where: Base-Base interactions energy: -1795.622 where: short stacking energy: -738.576 Base-Backbone interact. energy: -3.004 local terms energy: -749.354265 where: bonds (distance) C4'-P energy: -133.718 bonds (distance) P-C4' energy: -130.148 flat angles C4'-P-C4' energy: -152.226 flat angles P-C4'-P energy: -107.567 tors. eta vs tors. theta energy: -225.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2444.276903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.276903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.276903 (E_RNA) where: Base-Base interactions energy: -1721.972 where: short stacking energy: -704.075 Base-Backbone interact. energy: -0.973 local terms energy: -721.332026 where: bonds (distance) C4'-P energy: -115.044 bonds (distance) P-C4' energy: -121.088 flat angles C4'-P-C4' energy: -145.156 flat angles P-C4'-P energy: -109.793 tors. eta vs tors. theta energy: -230.252 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: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2335.759091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.759091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.759091 (E_RNA) where: Base-Base interactions energy: -1664.810 where: short stacking energy: -682.445 Base-Backbone interact. energy: 2.781 local terms energy: -673.730086 where: bonds (distance) C4'-P energy: -111.748 bonds (distance) P-C4' energy: -113.572 flat angles C4'-P-C4' energy: -142.570 flat angles P-C4'-P energy: -99.914 tors. eta vs tors. theta energy: -205.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2127.882232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.882232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.882232 (E_RNA) where: Base-Base interactions energy: -1479.995 where: short stacking energy: -619.630 Base-Backbone interact. energy: -4.831 local terms energy: -643.055542 where: bonds (distance) C4'-P energy: -122.175 bonds (distance) P-C4' energy: -104.238 flat angles C4'-P-C4' energy: -141.454 flat angles P-C4'-P energy: -88.017 tors. eta vs tors. theta energy: -187.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1946.641220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.641220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.641220 (E_RNA) where: Base-Base interactions energy: -1369.326 where: short stacking energy: -568.682 Base-Backbone interact. energy: -0.491 local terms energy: -576.823461 where: bonds (distance) C4'-P energy: -107.879 bonds (distance) P-C4' energy: -113.997 flat angles C4'-P-C4' energy: -115.960 flat angles P-C4'-P energy: -85.344 tors. eta vs tors. theta energy: -153.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1810.945323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.945323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.945323 (E_RNA) where: Base-Base interactions energy: -1268.021 where: short stacking energy: -524.557 Base-Backbone interact. energy: -3.478 local terms energy: -539.446560 where: bonds (distance) C4'-P energy: -94.908 bonds (distance) P-C4' energy: -112.584 flat angles C4'-P-C4' energy: -121.478 flat angles P-C4'-P energy: -70.048 tors. eta vs tors. theta energy: -140.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1345.679884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.679884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.679884 (E_RNA) where: Base-Base interactions energy: -871.309 where: short stacking energy: -368.821 Base-Backbone interact. energy: 3.062 local terms energy: -477.432830 where: bonds (distance) C4'-P energy: -118.581 bonds (distance) P-C4' energy: -108.717 flat angles C4'-P-C4' energy: -118.137 flat angles P-C4'-P energy: -58.141 tors. eta vs tors. theta energy: -73.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -938.455731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.455731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.455731 (E_RNA) where: Base-Base interactions energy: -526.867 where: short stacking energy: -245.349 Base-Backbone interact. energy: -2.215 local terms energy: -409.373728 where: bonds (distance) C4'-P energy: -94.051 bonds (distance) P-C4' energy: -114.083 flat angles C4'-P-C4' energy: -108.135 flat angles P-C4'-P energy: -67.461 tors. eta vs tors. theta energy: -25.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2637.343249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.343249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.343249 (E_RNA) where: Base-Base interactions energy: -1860.093 where: short stacking energy: -783.973 Base-Backbone interact. energy: -1.199 local terms energy: -776.052030 where: bonds (distance) C4'-P energy: -131.091 bonds (distance) P-C4' energy: -133.568 flat angles C4'-P-C4' energy: -155.736 flat angles P-C4'-P energy: -112.412 tors. eta vs tors. theta energy: -243.244 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: 8 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2632.116702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.116702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.116702 (E_RNA) where: Base-Base interactions energy: -1890.896 where: short stacking energy: -727.592 Base-Backbone interact. energy: 1.513 local terms energy: -742.734371 where: bonds (distance) C4'-P energy: -117.344 bonds (distance) P-C4' energy: -126.485 flat angles C4'-P-C4' energy: -162.505 flat angles P-C4'-P energy: -114.128 tors. eta vs tors. theta energy: -222.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2537.401739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.401739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.401739 (E_RNA) where: Base-Base interactions energy: -1805.159 where: short stacking energy: -737.780 Base-Backbone interact. energy: 2.022 local terms energy: -734.264755 where: bonds (distance) C4'-P energy: -117.076 bonds (distance) P-C4' energy: -131.902 flat angles C4'-P-C4' energy: -156.383 flat angles P-C4'-P energy: -103.988 tors. eta vs tors. theta energy: -224.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2499.777137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.777137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.777137 (E_RNA) where: Base-Base interactions energy: -1780.011 where: short stacking energy: -716.510 Base-Backbone interact. energy: 0.141 local terms energy: -719.906796 where: bonds (distance) C4'-P energy: -135.824 bonds (distance) P-C4' energy: -135.953 flat angles C4'-P-C4' energy: -138.354 flat angles P-C4'-P energy: -87.294 tors. eta vs tors. theta energy: -222.482 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: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2344.709622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.709622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.709622 (E_RNA) where: Base-Base interactions energy: -1648.524 where: short stacking energy: -690.255 Base-Backbone interact. energy: -0.822 local terms energy: -695.364176 where: bonds (distance) C4'-P energy: -120.365 bonds (distance) P-C4' energy: -126.129 flat angles C4'-P-C4' energy: -148.076 flat angles P-C4'-P energy: -89.963 tors. eta vs tors. theta energy: -210.830 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: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2152.628014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.628014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.628014 (E_RNA) where: Base-Base interactions energy: -1544.762 where: short stacking energy: -613.794 Base-Backbone interact. energy: -0.303 local terms energy: -607.562880 where: bonds (distance) C4'-P energy: -105.850 bonds (distance) P-C4' energy: -114.160 flat angles C4'-P-C4' energy: -123.746 flat angles P-C4'-P energy: -90.637 tors. eta vs tors. theta energy: -173.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1920.205740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.205740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.205740 (E_RNA) where: Base-Base interactions energy: -1332.549 where: short stacking energy: -545.445 Base-Backbone interact. energy: -0.399 local terms energy: -587.257729 where: bonds (distance) C4'-P energy: -114.627 bonds (distance) P-C4' energy: -118.766 flat angles C4'-P-C4' energy: -129.469 flat angles P-C4'-P energy: -78.746 tors. eta vs tors. theta energy: -145.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1813.533208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.533208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.533208 (E_RNA) where: Base-Base interactions energy: -1242.050 where: short stacking energy: -546.353 Base-Backbone interact. energy: -3.261 local terms energy: -568.221664 where: bonds (distance) C4'-P energy: -110.212 bonds (distance) P-C4' energy: -105.541 flat angles C4'-P-C4' energy: -125.099 flat angles P-C4'-P energy: -80.047 tors. eta vs tors. theta energy: -147.323 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: 9, replica: 3 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1405.444794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.444794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.444794 (E_RNA) where: Base-Base interactions energy: -945.296 where: short stacking energy: -408.931 Base-Backbone interact. energy: 4.425 local terms energy: -464.573382 where: bonds (distance) C4'-P energy: -113.703 bonds (distance) P-C4' energy: -111.800 flat angles C4'-P-C4' energy: -115.088 flat angles P-C4'-P energy: -45.068 tors. eta vs tors. theta energy: -78.914 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: 10, replica: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -979.678662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.678662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.678662 (E_RNA) where: Base-Base interactions energy: -583.896 where: short stacking energy: -261.288 Base-Backbone interact. energy: -0.067 local terms energy: -395.715603 where: bonds (distance) C4'-P energy: -103.258 bonds (distance) P-C4' energy: -108.524 flat angles C4'-P-C4' energy: -98.860 flat angles P-C4'-P energy: -67.181 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: 1, replica: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2630.863083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.863083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.863083 (E_RNA) where: Base-Base interactions energy: -1853.346 where: short stacking energy: -776.403 Base-Backbone interact. energy: -2.265 local terms energy: -775.252634 where: bonds (distance) C4'-P energy: -131.282 bonds (distance) P-C4' energy: -137.986 flat angles C4'-P-C4' energy: -165.951 flat angles P-C4'-P energy: -104.532 tors. eta vs tors. theta energy: -235.503 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: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2612.457593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.457593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.457593 (E_RNA) where: Base-Base interactions energy: -1863.221 where: short stacking energy: -740.238 Base-Backbone interact. energy: -2.884 local terms energy: -746.352303 where: bonds (distance) C4'-P energy: -119.641 bonds (distance) P-C4' energy: -137.257 flat angles C4'-P-C4' energy: -158.445 flat angles P-C4'-P energy: -106.927 tors. eta vs tors. theta energy: -224.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2570.409365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.409365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.409365 (E_RNA) where: Base-Base interactions energy: -1852.576 where: short stacking energy: -753.513 Base-Backbone interact. energy: -3.040 local terms energy: -714.793427 where: bonds (distance) C4'-P energy: -114.815 bonds (distance) P-C4' energy: -125.838 flat angles C4'-P-C4' energy: -154.502 flat angles P-C4'-P energy: -96.714 tors. eta vs tors. theta energy: -222.924 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: 4, replica: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2499.143764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.143764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.143764 (E_RNA) where: Base-Base interactions energy: -1776.199 where: short stacking energy: -743.218 Base-Backbone interact. energy: -3.627 local terms energy: -719.317369 where: bonds (distance) C4'-P energy: -126.266 bonds (distance) P-C4' energy: -128.905 flat angles C4'-P-C4' energy: -135.424 flat angles P-C4'-P energy: -98.366 tors. eta vs tors. theta energy: -230.356 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: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2343.421211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.421211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.421211 (E_RNA) where: Base-Base interactions energy: -1643.428 where: short stacking energy: -687.352 Base-Backbone interact. energy: -0.894 local terms energy: -699.099534 where: bonds (distance) C4'-P energy: -114.550 bonds (distance) P-C4' energy: -115.514 flat angles C4'-P-C4' energy: -150.781 flat angles P-C4'-P energy: -101.632 tors. eta vs tors. theta energy: -216.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2110.809012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.809012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.809012 (E_RNA) where: Base-Base interactions energy: -1488.652 where: short stacking energy: -609.515 Base-Backbone interact. energy: -3.129 local terms energy: -619.027703 where: bonds (distance) C4'-P energy: -98.080 bonds (distance) P-C4' energy: -132.683 flat angles C4'-P-C4' energy: -132.218 flat angles P-C4'-P energy: -77.921 tors. eta vs tors. theta energy: -178.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1979.092095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.092095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.092095 (E_RNA) where: Base-Base interactions energy: -1392.472 where: short stacking energy: -571.022 Base-Backbone interact. energy: -2.788 local terms energy: -583.832807 where: bonds (distance) C4'-P energy: -107.523 bonds (distance) P-C4' energy: -101.708 flat angles C4'-P-C4' energy: -135.112 flat angles P-C4'-P energy: -86.018 tors. eta vs tors. theta energy: -153.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1726.055914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.055914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.055914 (E_RNA) where: Base-Base interactions energy: -1187.539 where: short stacking energy: -500.628 Base-Backbone interact. energy: -0.445 local terms energy: -538.071885 where: bonds (distance) C4'-P energy: -103.643 bonds (distance) P-C4' energy: -98.515 flat angles C4'-P-C4' energy: -126.483 flat angles P-C4'-P energy: -79.091 tors. eta vs tors. theta energy: -130.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1464.549632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.549632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.549632 (E_RNA) where: Base-Base interactions energy: -991.858 where: short stacking energy: -435.640 Base-Backbone interact. energy: 3.592 local terms energy: -476.283332 where: bonds (distance) C4'-P energy: -96.848 bonds (distance) P-C4' energy: -109.276 flat angles C4'-P-C4' energy: -105.027 flat angles P-C4'-P energy: -78.985 tors. eta vs tors. theta energy: -86.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -943.637635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.637635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.637635 (E_RNA) where: Base-Base interactions energy: -592.078 where: short stacking energy: -296.950 Base-Backbone interact. energy: 12.123 local terms energy: -363.682599 where: bonds (distance) C4'-P energy: -85.255 bonds (distance) P-C4' energy: -99.388 flat angles C4'-P-C4' energy: -94.082 flat angles P-C4'-P energy: -59.150 tors. eta vs tors. theta energy: -25.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2649.519535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.519535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.519535 (E_RNA) where: Base-Base interactions energy: -1908.391 where: short stacking energy: -749.795 Base-Backbone interact. energy: 1.890 local terms energy: -743.018872 where: bonds (distance) C4'-P energy: -124.088 bonds (distance) P-C4' energy: -130.342 flat angles C4'-P-C4' energy: -156.344 flat angles P-C4'-P energy: -104.045 tors. eta vs tors. theta energy: -228.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2591.841670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.841670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.841670 (E_RNA) where: Base-Base interactions energy: -1856.221 where: short stacking energy: -756.060 Base-Backbone interact. energy: 0.523 local terms energy: -736.143757 where: bonds (distance) C4'-P energy: -123.211 bonds (distance) P-C4' energy: -127.652 flat angles C4'-P-C4' energy: -151.845 flat angles P-C4'-P energy: -98.758 tors. eta vs tors. theta energy: -234.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2550.605603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.605603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.605603 (E_RNA) where: Base-Base interactions energy: -1818.888 where: short stacking energy: -747.883 Base-Backbone interact. energy: -1.603 local terms energy: -730.114553 where: bonds (distance) C4'-P energy: -139.035 bonds (distance) P-C4' energy: -120.972 flat angles C4'-P-C4' energy: -146.247 flat angles P-C4'-P energy: -98.211 tors. eta vs tors. theta energy: -225.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2488.968283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.968283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.968283 (E_RNA) where: Base-Base interactions energy: -1747.974 where: short stacking energy: -721.493 Base-Backbone interact. energy: -0.480 local terms energy: -740.514547 where: bonds (distance) C4'-P energy: -123.882 bonds (distance) P-C4' energy: -128.873 flat angles C4'-P-C4' energy: -155.779 flat angles P-C4'-P energy: -105.940 tors. eta vs tors. theta energy: -226.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2331.847388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.847388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.847388 (E_RNA) where: Base-Base interactions energy: -1641.656 where: short stacking energy: -665.684 Base-Backbone interact. energy: 2.230 local terms energy: -692.421661 where: bonds (distance) C4'-P energy: -105.503 bonds (distance) P-C4' energy: -126.981 flat angles C4'-P-C4' energy: -154.775 flat angles P-C4'-P energy: -104.667 tors. eta vs tors. theta energy: -200.495 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: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2140.897346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.897346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.897346 (E_RNA) where: Base-Base interactions energy: -1518.362 where: short stacking energy: -620.772 Base-Backbone interact. energy: -0.760 local terms energy: -621.775451 where: bonds (distance) C4'-P energy: -85.897 bonds (distance) P-C4' energy: -125.289 flat angles C4'-P-C4' energy: -140.988 flat angles P-C4'-P energy: -80.501 tors. eta vs tors. theta energy: -189.102 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: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1948.912360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.912360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.912360 (E_RNA) where: Base-Base interactions energy: -1361.830 where: short stacking energy: -563.817 Base-Backbone interact. energy: 0.354 local terms energy: -587.436357 where: bonds (distance) C4'-P energy: -120.595 bonds (distance) P-C4' energy: -95.522 flat angles C4'-P-C4' energy: -128.160 flat angles P-C4'-P energy: -79.043 tors. eta vs tors. theta energy: -164.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1753.281600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.281600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.281600 (E_RNA) where: Base-Base interactions energy: -1187.107 where: short stacking energy: -513.003 Base-Backbone interact. energy: -0.862 local terms energy: -565.312541 where: bonds (distance) C4'-P energy: -118.677 bonds (distance) P-C4' energy: -109.359 flat angles C4'-P-C4' energy: -119.729 flat angles P-C4'-P energy: -79.058 tors. eta vs tors. theta energy: -138.489 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: 3 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1519.397628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.397628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.397628 (E_RNA) where: Base-Base interactions energy: -1040.564 where: short stacking energy: -436.378 Base-Backbone interact. energy: 0.359 local terms energy: -479.192872 where: bonds (distance) C4'-P energy: -94.948 bonds (distance) P-C4' energy: -100.393 flat angles C4'-P-C4' energy: -110.228 flat angles P-C4'-P energy: -73.145 tors. eta vs tors. theta energy: -100.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -902.208513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.208513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.208513 (E_RNA) where: Base-Base interactions energy: -503.543 where: short stacking energy: -259.865 Base-Backbone interact. energy: -1.558 local terms energy: -397.107359 where: bonds (distance) C4'-P energy: -113.280 bonds (distance) P-C4' energy: -100.953 flat angles C4'-P-C4' energy: -98.448 flat angles P-C4'-P energy: -63.097 tors. eta vs tors. theta energy: -21.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2689.313840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.313840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.313840 (E_RNA) where: Base-Base interactions energy: -1942.229 where: short stacking energy: -758.971 Base-Backbone interact. energy: 0.773 local terms energy: -747.857790 where: bonds (distance) C4'-P energy: -123.633 bonds (distance) P-C4' energy: -133.032 flat angles C4'-P-C4' energy: -153.623 flat angles P-C4'-P energy: -119.174 tors. eta vs tors. theta energy: -218.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2569.962438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.962438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.962438 (E_RNA) where: Base-Base interactions energy: -1821.234 where: short stacking energy: -746.402 Base-Backbone interact. energy: -2.438 local terms energy: -746.290724 where: bonds (distance) C4'-P energy: -119.555 bonds (distance) P-C4' energy: -135.292 flat angles C4'-P-C4' energy: -156.669 flat angles P-C4'-P energy: -108.692 tors. eta vs tors. theta energy: -226.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2535.992472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.992472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.992472 (E_RNA) where: Base-Base interactions energy: -1781.415 where: short stacking energy: -721.240 Base-Backbone interact. energy: -1.463 local terms energy: -753.114533 where: bonds (distance) C4'-P energy: -131.615 bonds (distance) P-C4' energy: -120.585 flat angles C4'-P-C4' energy: -163.374 flat angles P-C4'-P energy: -114.506 tors. eta vs tors. theta energy: -223.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2469.794229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.794229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.794229 (E_RNA) where: Base-Base interactions energy: -1785.408 where: short stacking energy: -729.601 Base-Backbone interact. energy: -0.889 local terms energy: -683.497252 where: bonds (distance) C4'-P energy: -121.752 bonds (distance) P-C4' energy: -109.716 flat angles C4'-P-C4' energy: -147.643 flat angles P-C4'-P energy: -86.691 tors. eta vs tors. theta energy: -217.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2341.634219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.634219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.634219 (E_RNA) where: Base-Base interactions energy: -1685.152 where: short stacking energy: -695.650 Base-Backbone interact. energy: 1.409 local terms energy: -657.891893 where: bonds (distance) C4'-P energy: -119.551 bonds (distance) P-C4' energy: -118.733 flat angles C4'-P-C4' energy: -134.919 flat angles P-C4'-P energy: -70.945 tors. eta vs tors. theta energy: -213.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2095.100642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.100642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.100642 (E_RNA) where: Base-Base interactions energy: -1480.113 where: short stacking energy: -627.215 Base-Backbone interact. energy: 3.561 local terms energy: -618.548511 where: bonds (distance) C4'-P energy: -109.532 bonds (distance) P-C4' energy: -113.015 flat angles C4'-P-C4' energy: -135.088 flat angles P-C4'-P energy: -90.356 tors. eta vs tors. theta energy: -170.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1951.321622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.321622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.321622 (E_RNA) where: Base-Base interactions energy: -1312.213 where: short stacking energy: -535.853 Base-Backbone interact. energy: -2.419 local terms energy: -636.690519 where: bonds (distance) C4'-P energy: -121.551 bonds (distance) P-C4' energy: -126.256 flat angles C4'-P-C4' energy: -140.093 flat angles P-C4'-P energy: -87.581 tors. eta vs tors. theta energy: -161.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1809.693198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.693198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.693198 (E_RNA) where: Base-Base interactions energy: -1257.156 where: short stacking energy: -517.572 Base-Backbone interact. energy: 2.693 local terms energy: -555.230611 where: bonds (distance) C4'-P energy: -117.045 bonds (distance) P-C4' energy: -117.002 flat angles C4'-P-C4' energy: -121.260 flat angles P-C4'-P energy: -72.018 tors. eta vs tors. theta energy: -127.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1519.358920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.358920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.358920 (E_RNA) where: Base-Base interactions energy: -1031.857 where: short stacking energy: -438.710 Base-Backbone interact. energy: -2.888 local terms energy: -484.613510 where: bonds (distance) C4'-P energy: -87.429 bonds (distance) P-C4' energy: -108.939 flat angles C4'-P-C4' energy: -113.599 flat angles P-C4'-P energy: -65.007 tors. eta vs tors. theta energy: -109.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -834.295162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.295162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.295162 (E_RNA) where: Base-Base interactions energy: -426.434 where: short stacking energy: -207.185 Base-Backbone interact. energy: -3.750 local terms energy: -404.110733 where: bonds (distance) C4'-P energy: -105.462 bonds (distance) P-C4' energy: -110.093 flat angles C4'-P-C4' energy: -122.879 flat angles P-C4'-P energy: -67.346 tors. eta vs tors. theta energy: 1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2678.173000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.173000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.173000 (E_RNA) where: Base-Base interactions energy: -1938.309 where: short stacking energy: -769.005 Base-Backbone interact. energy: -0.678 local terms energy: -739.186430 where: bonds (distance) C4'-P energy: -126.086 bonds (distance) P-C4' energy: -135.886 flat angles C4'-P-C4' energy: -149.212 flat angles P-C4'-P energy: -109.019 tors. eta vs tors. theta energy: -218.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2573.568599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.568599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.568599 (E_RNA) where: Base-Base interactions energy: -1804.429 where: short stacking energy: -745.650 Base-Backbone interact. energy: 0.531 local terms energy: -769.670836 where: bonds (distance) C4'-P energy: -138.450 bonds (distance) P-C4' energy: -134.035 flat angles C4'-P-C4' energy: -162.330 flat angles P-C4'-P energy: -105.040 tors. eta vs tors. theta energy: -229.815 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: 3, replica: 10 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2546.421780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.421780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.421780 (E_RNA) where: Base-Base interactions energy: -1802.808 where: short stacking energy: -730.409 Base-Backbone interact. energy: -3.598 local terms energy: -740.016341 where: bonds (distance) C4'-P energy: -126.212 bonds (distance) P-C4' energy: -130.151 flat angles C4'-P-C4' energy: -155.721 flat angles P-C4'-P energy: -108.464 tors. eta vs tors. theta energy: -219.468 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: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2484.346111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.346111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.346111 (E_RNA) where: Base-Base interactions energy: -1741.759 where: short stacking energy: -715.915 Base-Backbone interact. energy: -1.132 local terms energy: -741.454479 where: bonds (distance) C4'-P energy: -124.597 bonds (distance) P-C4' energy: -133.567 flat angles C4'-P-C4' energy: -149.879 flat angles P-C4'-P energy: -99.613 tors. eta vs tors. theta energy: -233.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2366.405785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.405785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.405785 (E_RNA) where: Base-Base interactions energy: -1677.128 where: short stacking energy: -699.970 Base-Backbone interact. energy: 1.602 local terms energy: -690.880038 where: bonds (distance) C4'-P energy: -111.995 bonds (distance) P-C4' energy: -111.709 flat angles C4'-P-C4' energy: -145.140 flat angles P-C4'-P energy: -102.212 tors. eta vs tors. theta energy: -219.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2073.094616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.094616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.094616 (E_RNA) where: Base-Base interactions energy: -1475.910 where: short stacking energy: -619.569 Base-Backbone interact. energy: 1.027 local terms energy: -598.211216 where: bonds (distance) C4'-P energy: -94.111 bonds (distance) P-C4' energy: -109.696 flat angles C4'-P-C4' energy: -129.234 flat angles P-C4'-P energy: -86.680 tors. eta vs tors. theta energy: -178.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1954.200855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.200855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.200855 (E_RNA) where: Base-Base interactions energy: -1343.486 where: short stacking energy: -573.061 Base-Backbone interact. energy: -1.290 local terms energy: -609.424583 where: bonds (distance) C4'-P energy: -119.437 bonds (distance) P-C4' energy: -97.519 flat angles C4'-P-C4' energy: -148.996 flat angles P-C4'-P energy: -85.545 tors. eta vs tors. theta energy: -157.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1766.388615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.388615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.388615 (E_RNA) where: Base-Base interactions energy: -1203.555 where: short stacking energy: -537.315 Base-Backbone interact. energy: 0.251 local terms energy: -563.084978 where: bonds (distance) C4'-P energy: -91.769 bonds (distance) P-C4' energy: -116.629 flat angles C4'-P-C4' energy: -128.856 flat angles P-C4'-P energy: -82.496 tors. eta vs tors. theta energy: -143.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1485.180284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.180284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.180284 (E_RNA) where: Base-Base interactions energy: -1003.875 where: short stacking energy: -422.015 Base-Backbone interact. energy: 0.743 local terms energy: -482.048511 where: bonds (distance) C4'-P energy: -76.374 bonds (distance) P-C4' energy: -124.719 flat angles C4'-P-C4' energy: -110.612 flat angles P-C4'-P energy: -78.714 tors. eta vs tors. theta energy: -91.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -785.905983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.905983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.905983 (E_RNA) where: Base-Base interactions energy: -428.656 where: short stacking energy: -214.719 Base-Backbone interact. energy: 0.496 local terms energy: -357.745563 where: bonds (distance) C4'-P energy: -109.092 bonds (distance) P-C4' energy: -103.939 flat angles C4'-P-C4' energy: -109.491 flat angles P-C4'-P energy: -44.487 tors. eta vs tors. theta energy: 9.264 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: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2677.997795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.997795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.997795 (E_RNA) where: Base-Base interactions energy: -1935.063 where: short stacking energy: -763.218 Base-Backbone interact. energy: -3.020 local terms energy: -739.915424 where: bonds (distance) C4'-P energy: -130.927 bonds (distance) P-C4' energy: -129.059 flat angles C4'-P-C4' energy: -155.913 flat angles P-C4'-P energy: -104.694 tors. eta vs tors. theta energy: -219.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2571.681479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.681479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.681479 (E_RNA) where: Base-Base interactions energy: -1823.227 where: short stacking energy: -755.053 Base-Backbone interact. energy: -2.219 local terms energy: -746.236006 where: bonds (distance) C4'-P energy: -137.635 bonds (distance) P-C4' energy: -131.381 flat angles C4'-P-C4' energy: -147.752 flat angles P-C4'-P energy: -98.521 tors. eta vs tors. theta energy: -230.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2558.984287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.984287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.984287 (E_RNA) where: Base-Base interactions energy: -1823.029 where: short stacking energy: -753.445 Base-Backbone interact. energy: -2.591 local terms energy: -733.364155 where: bonds (distance) C4'-P energy: -131.104 bonds (distance) P-C4' energy: -121.444 flat angles C4'-P-C4' energy: -150.176 flat angles P-C4'-P energy: -98.307 tors. eta vs tors. theta energy: -232.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2471.253370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.253370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.253370 (E_RNA) where: Base-Base interactions energy: -1733.861 where: short stacking energy: -704.697 Base-Backbone interact. energy: 0.725 local terms energy: -738.117243 where: bonds (distance) C4'-P energy: -134.626 bonds (distance) P-C4' energy: -127.097 flat angles C4'-P-C4' energy: -153.874 flat angles P-C4'-P energy: -103.329 tors. eta vs tors. theta energy: -219.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2328.887813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.887813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.887813 (E_RNA) where: Base-Base interactions energy: -1652.479 where: short stacking energy: -690.072 Base-Backbone interact. energy: -1.772 local terms energy: -674.636486 where: bonds (distance) C4'-P energy: -130.730 bonds (distance) P-C4' energy: -107.508 flat angles C4'-P-C4' energy: -136.528 flat angles P-C4'-P energy: -85.432 tors. eta vs tors. theta energy: -214.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2137.584988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.584988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.584988 (E_RNA) where: Base-Base interactions energy: -1489.009 where: short stacking energy: -612.432 Base-Backbone interact. energy: -0.015 local terms energy: -648.561064 where: bonds (distance) C4'-P energy: -119.929 bonds (distance) P-C4' energy: -104.519 flat angles C4'-P-C4' energy: -141.364 flat angles P-C4'-P energy: -94.280 tors. eta vs tors. theta energy: -188.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1996.748423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.748423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.748423 (E_RNA) where: Base-Base interactions energy: -1358.237 where: short stacking energy: -561.043 Base-Backbone interact. energy: 0.505 local terms energy: -639.016526 where: bonds (distance) C4'-P energy: -120.891 bonds (distance) P-C4' energy: -128.255 flat angles C4'-P-C4' energy: -130.941 flat angles P-C4'-P energy: -93.245 tors. eta vs tors. theta energy: -165.685 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: 247 Temperature: 1.250000 Total energy: -1760.424573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.424573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.424573 (E_RNA) where: Base-Base interactions energy: -1224.404 where: short stacking energy: -525.232 Base-Backbone interact. energy: -0.091 local terms energy: -535.928739 where: bonds (distance) C4'-P energy: -110.097 bonds (distance) P-C4' energy: -89.606 flat angles C4'-P-C4' energy: -114.102 flat angles P-C4'-P energy: -79.025 tors. eta vs tors. theta energy: -143.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1496.899189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.899189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.899189 (E_RNA) where: Base-Base interactions energy: -1016.714 where: short stacking energy: -443.050 Base-Backbone interact. energy: -0.896 local terms energy: -479.289838 where: bonds (distance) C4'-P energy: -98.676 bonds (distance) P-C4' energy: -105.755 flat angles C4'-P-C4' energy: -119.896 flat angles P-C4'-P energy: -73.045 tors. eta vs tors. theta energy: -81.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -841.602380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.602380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.602380 (E_RNA) where: Base-Base interactions energy: -471.339 where: short stacking energy: -253.272 Base-Backbone interact. energy: 5.214 local terms energy: -375.477361 where: bonds (distance) C4'-P energy: -91.461 bonds (distance) P-C4' energy: -122.263 flat angles C4'-P-C4' energy: -83.216 flat angles P-C4'-P energy: -68.740 tors. eta vs tors. theta energy: -9.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2691.989987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.989987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.989987 (E_RNA) where: Base-Base interactions energy: -1938.703 where: short stacking energy: -753.081 Base-Backbone interact. energy: -1.767 local terms energy: -751.519583 where: bonds (distance) C4'-P energy: -131.237 bonds (distance) P-C4' energy: -141.258 flat angles C4'-P-C4' energy: -152.302 flat angles P-C4'-P energy: -103.320 tors. eta vs tors. theta energy: -223.403 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: 248 Temperature: 0.950000 Total energy: -2608.041843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.041843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.041843 (E_RNA) where: Base-Base interactions energy: -1862.759 where: short stacking energy: -753.785 Base-Backbone interact. energy: -0.737 local terms energy: -744.545467 where: bonds (distance) C4'-P energy: -121.172 bonds (distance) P-C4' energy: -132.536 flat angles C4'-P-C4' energy: -158.692 flat angles P-C4'-P energy: -101.928 tors. eta vs tors. theta energy: -230.217 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: 10 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2543.502966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.502966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.502966 (E_RNA) where: Base-Base interactions energy: -1810.150 where: short stacking energy: -742.199 Base-Backbone interact. energy: -2.029 local terms energy: -731.324466 where: bonds (distance) C4'-P energy: -126.123 bonds (distance) P-C4' energy: -137.110 flat angles C4'-P-C4' energy: -155.039 flat angles P-C4'-P energy: -94.495 tors. eta vs tors. theta energy: -218.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2496.741117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.741117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.741117 (E_RNA) where: Base-Base interactions energy: -1757.333 where: short stacking energy: -730.748 Base-Backbone interact. energy: -1.762 local terms energy: -737.645928 where: bonds (distance) C4'-P energy: -121.286 bonds (distance) P-C4' energy: -127.374 flat angles C4'-P-C4' energy: -160.955 flat angles P-C4'-P energy: -104.242 tors. eta vs tors. theta energy: -223.790 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: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2299.913399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.913399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.913399 (E_RNA) where: Base-Base interactions energy: -1617.606 where: short stacking energy: -657.760 Base-Backbone interact. energy: -1.771 local terms energy: -680.536618 where: bonds (distance) C4'-P energy: -110.951 bonds (distance) P-C4' energy: -126.567 flat angles C4'-P-C4' energy: -147.982 flat angles P-C4'-P energy: -85.099 tors. eta vs tors. theta energy: -209.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2123.340683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.340683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.340683 (E_RNA) where: Base-Base interactions energy: -1507.780 where: short stacking energy: -639.926 Base-Backbone interact. energy: -0.266 local terms energy: -615.295377 where: bonds (distance) C4'-P energy: -109.170 bonds (distance) P-C4' energy: -102.573 flat angles C4'-P-C4' energy: -137.521 flat angles P-C4'-P energy: -84.670 tors. eta vs tors. theta energy: -181.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1983.468709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.468709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.468709 (E_RNA) where: Base-Base interactions energy: -1385.665 where: short stacking energy: -566.990 Base-Backbone interact. energy: -2.124 local terms energy: -595.679790 where: bonds (distance) C4'-P energy: -106.479 bonds (distance) P-C4' energy: -97.582 flat angles C4'-P-C4' energy: -142.304 flat angles P-C4'-P energy: -90.389 tors. eta vs tors. theta energy: -158.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1730.122396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.122396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.122396 (E_RNA) where: Base-Base interactions energy: -1158.449 where: short stacking energy: -472.573 Base-Backbone interact. energy: -0.401 local terms energy: -571.271568 where: bonds (distance) C4'-P energy: -110.153 bonds (distance) P-C4' energy: -135.786 flat angles C4'-P-C4' energy: -126.275 flat angles P-C4'-P energy: -82.820 tors. eta vs tors. theta energy: -116.238 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: 3 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1556.489189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.489189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.489189 (E_RNA) where: Base-Base interactions energy: -1045.751 where: short stacking energy: -414.565 Base-Backbone interact. energy: -1.780 local terms energy: -508.958562 where: bonds (distance) C4'-P energy: -114.185 bonds (distance) P-C4' energy: -92.105 flat angles C4'-P-C4' energy: -134.100 flat angles P-C4'-P energy: -77.355 tors. eta vs tors. theta energy: -91.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -882.985230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.985230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.985230 (E_RNA) where: Base-Base interactions energy: -487.663 where: short stacking energy: -271.122 Base-Backbone interact. energy: 0.446 local terms energy: -395.768033 where: bonds (distance) C4'-P energy: -113.211 bonds (distance) P-C4' energy: -111.874 flat angles C4'-P-C4' energy: -96.872 flat angles P-C4'-P energy: -50.492 tors. eta vs tors. theta energy: -23.319 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: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2718.733020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.733020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.733020 (E_RNA) where: Base-Base interactions energy: -1952.392 where: short stacking energy: -752.568 Base-Backbone interact. energy: 0.041 local terms energy: -766.382317 where: bonds (distance) C4'-P energy: -136.200 bonds (distance) P-C4' energy: -123.762 flat angles C4'-P-C4' energy: -166.295 flat angles P-C4'-P energy: -116.576 tors. eta vs tors. theta energy: -223.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2612.223058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.223058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.223058 (E_RNA) where: Base-Base interactions energy: -1854.995 where: short stacking energy: -767.612 Base-Backbone interact. energy: -3.171 local terms energy: -754.057538 where: bonds (distance) C4'-P energy: -123.852 bonds (distance) P-C4' energy: -130.607 flat angles C4'-P-C4' energy: -156.677 flat angles P-C4'-P energy: -113.595 tors. eta vs tors. theta energy: -229.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2544.576246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.576246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.576246 (E_RNA) where: Base-Base interactions energy: -1817.861 where: short stacking energy: -744.038 Base-Backbone interact. energy: -2.024 local terms energy: -724.691742 where: bonds (distance) C4'-P energy: -115.877 bonds (distance) P-C4' energy: -126.387 flat angles C4'-P-C4' energy: -158.489 flat angles P-C4'-P energy: -102.954 tors. eta vs tors. theta energy: -220.985 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: 4, replica: 9 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2466.574410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.574410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.574410 (E_RNA) where: Base-Base interactions energy: -1775.467 where: short stacking energy: -738.896 Base-Backbone interact. energy: 0.090 local terms energy: -691.197397 where: bonds (distance) C4'-P energy: -120.877 bonds (distance) P-C4' energy: -110.312 flat angles C4'-P-C4' energy: -144.854 flat angles P-C4'-P energy: -91.572 tors. eta vs tors. theta energy: -223.581 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: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2326.911584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.911584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.911584 (E_RNA) where: Base-Base interactions energy: -1664.663 where: short stacking energy: -673.354 Base-Backbone interact. energy: -1.399 local terms energy: -660.848934 where: bonds (distance) C4'-P energy: -115.834 bonds (distance) P-C4' energy: -107.750 flat angles C4'-P-C4' energy: -150.925 flat angles P-C4'-P energy: -86.817 tors. eta vs tors. theta energy: -199.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2149.455215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.455215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.455215 (E_RNA) where: Base-Base interactions energy: -1504.162 where: short stacking energy: -628.701 Base-Backbone interact. energy: 1.471 local terms energy: -646.764971 where: bonds (distance) C4'-P energy: -103.983 bonds (distance) P-C4' energy: -121.261 flat angles C4'-P-C4' energy: -137.348 flat angles P-C4'-P energy: -80.791 tors. eta vs tors. theta energy: -203.382 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: 7, replica: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -2035.372684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.372684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.372684 (E_RNA) where: Base-Base interactions energy: -1419.234 where: short stacking energy: -579.594 Base-Backbone interact. energy: 2.527 local terms energy: -618.665278 where: bonds (distance) C4'-P energy: -119.737 bonds (distance) P-C4' energy: -116.141 flat angles C4'-P-C4' energy: -136.398 flat angles P-C4'-P energy: -88.919 tors. eta vs tors. theta energy: -157.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1581.952048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.952048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.952048 (E_RNA) where: Base-Base interactions energy: -1071.652 where: short stacking energy: -444.823 Base-Backbone interact. energy: 0.360 local terms energy: -510.660000 where: bonds (distance) C4'-P energy: -104.826 bonds (distance) P-C4' energy: -118.146 flat angles C4'-P-C4' energy: -116.530 flat angles P-C4'-P energy: -63.370 tors. eta vs tors. theta energy: -107.788 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: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1648.108996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.108996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.108996 (E_RNA) where: Base-Base interactions energy: -1117.719 where: short stacking energy: -491.807 Base-Backbone interact. energy: -3.458 local terms energy: -526.931874 where: bonds (distance) C4'-P energy: -94.128 bonds (distance) P-C4' energy: -100.894 flat angles C4'-P-C4' energy: -124.518 flat angles P-C4'-P energy: -78.616 tors. eta vs tors. theta energy: -128.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -826.666364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.666364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.666364 (E_RNA) where: Base-Base interactions energy: -470.130 where: short stacking energy: -252.611 Base-Backbone interact. energy: 8.712 local terms energy: -365.249168 where: bonds (distance) C4'-P energy: -98.912 bonds (distance) P-C4' energy: -100.649 flat angles C4'-P-C4' energy: -94.018 flat angles P-C4'-P energy: -58.721 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: 1, replica: 8 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2683.517951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.517951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.517951 (E_RNA) where: Base-Base interactions energy: -1935.503 where: short stacking energy: -773.833 Base-Backbone interact. energy: 1.101 local terms energy: -749.116574 where: bonds (distance) C4'-P energy: -133.485 bonds (distance) P-C4' energy: -140.146 flat angles C4'-P-C4' energy: -154.809 flat angles P-C4'-P energy: -98.720 tors. eta vs tors. theta energy: -221.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2574.620664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.620664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.620664 (E_RNA) where: Base-Base interactions energy: -1810.973 where: short stacking energy: -741.847 Base-Backbone interact. energy: -1.052 local terms energy: -762.595551 where: bonds (distance) C4'-P energy: -131.268 bonds (distance) P-C4' energy: -127.541 flat angles C4'-P-C4' energy: -164.501 flat angles P-C4'-P energy: -104.568 tors. eta vs tors. theta energy: -234.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2521.964681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.964681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.964681 (E_RNA) where: Base-Base interactions energy: -1790.760 where: short stacking energy: -744.562 Base-Backbone interact. energy: 3.662 local terms energy: -734.866155 where: bonds (distance) C4'-P energy: -122.334 bonds (distance) P-C4' energy: -121.113 flat angles C4'-P-C4' energy: -154.070 flat angles P-C4'-P energy: -111.997 tors. eta vs tors. theta energy: -225.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2478.563106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.563106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.563106 (E_RNA) where: Base-Base interactions energy: -1785.585 where: short stacking energy: -736.800 Base-Backbone interact. energy: -0.300 local terms energy: -692.677969 where: bonds (distance) C4'-P energy: -111.233 bonds (distance) P-C4' energy: -115.637 flat angles C4'-P-C4' energy: -142.199 flat angles P-C4'-P energy: -99.271 tors. eta vs tors. theta energy: -224.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2319.802586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.802586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.802586 (E_RNA) where: Base-Base interactions energy: -1657.886 where: short stacking energy: -679.326 Base-Backbone interact. energy: -3.569 local terms energy: -658.347026 where: bonds (distance) C4'-P energy: -99.189 bonds (distance) P-C4' energy: -124.662 flat angles C4'-P-C4' energy: -140.681 flat angles P-C4'-P energy: -90.975 tors. eta vs tors. theta energy: -202.840 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: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2105.100919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.100919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.100919 (E_RNA) where: Base-Base interactions energy: -1476.179 where: short stacking energy: -630.475 Base-Backbone interact. energy: -0.948 local terms energy: -627.974433 where: bonds (distance) C4'-P energy: -112.995 bonds (distance) P-C4' energy: -111.843 flat angles C4'-P-C4' energy: -133.578 flat angles P-C4'-P energy: -91.480 tors. eta vs tors. theta energy: -178.077 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: 7, replica: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2060.929899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.929899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.929899 (E_RNA) where: Base-Base interactions energy: -1458.963 where: short stacking energy: -619.465 Base-Backbone interact. energy: -2.681 local terms energy: -599.285486 where: bonds (distance) C4'-P energy: -113.368 bonds (distance) P-C4' energy: -116.226 flat angles C4'-P-C4' energy: -119.416 flat angles P-C4'-P energy: -84.925 tors. eta vs tors. theta energy: -165.350 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: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1562.348637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.348637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.348637 (E_RNA) where: Base-Base interactions energy: -1032.201 where: short stacking energy: -449.446 Base-Backbone interact. energy: -1.812 local terms energy: -528.334923 where: bonds (distance) C4'-P energy: -117.566 bonds (distance) P-C4' energy: -103.053 flat angles C4'-P-C4' energy: -117.584 flat angles P-C4'-P energy: -82.966 tors. eta vs tors. theta energy: -107.166 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: 7 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1532.893617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.893617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.893617 (E_RNA) where: Base-Base interactions energy: -1017.229 where: short stacking energy: -439.450 Base-Backbone interact. energy: -1.623 local terms energy: -514.041115 where: bonds (distance) C4'-P energy: -108.254 bonds (distance) P-C4' energy: -112.551 flat angles C4'-P-C4' energy: -109.495 flat angles P-C4'-P energy: -81.618 tors. eta vs tors. theta energy: -102.123 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: 6 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -833.513554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.513554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.513554 (E_RNA) where: Base-Base interactions energy: -447.942 where: short stacking energy: -220.781 Base-Backbone interact. energy: -1.784 local terms energy: -383.787287 where: bonds (distance) C4'-P energy: -113.854 bonds (distance) P-C4' energy: -102.906 flat angles C4'-P-C4' energy: -94.102 flat angles P-C4'-P energy: -56.991 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: 1, replica: 8 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2689.759484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.759484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.759484 (E_RNA) where: Base-Base interactions energy: -1953.256 where: short stacking energy: -752.212 Base-Backbone interact. energy: 3.852 local terms energy: -740.356218 where: bonds (distance) C4'-P energy: -120.246 bonds (distance) P-C4' energy: -120.944 flat angles C4'-P-C4' energy: -158.895 flat angles P-C4'-P energy: -114.939 tors. eta vs tors. theta energy: -225.331 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: 1 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2584.339128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.339128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.339128 (E_RNA) where: Base-Base interactions energy: -1839.976 where: short stacking energy: -745.529 Base-Backbone interact. energy: -0.686 local terms energy: -743.677818 where: bonds (distance) C4'-P energy: -133.838 bonds (distance) P-C4' energy: -131.222 flat angles C4'-P-C4' energy: -156.937 flat angles P-C4'-P energy: -98.459 tors. eta vs tors. theta energy: -223.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2499.890150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.890150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.890150 (E_RNA) where: Base-Base interactions energy: -1754.254 where: short stacking energy: -716.495 Base-Backbone interact. energy: -1.570 local terms energy: -744.065908 where: bonds (distance) C4'-P energy: -124.204 bonds (distance) P-C4' energy: -139.676 flat angles C4'-P-C4' energy: -150.463 flat angles P-C4'-P energy: -105.794 tors. eta vs tors. theta energy: -223.929 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: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2493.877902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.877902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.877902 (E_RNA) where: Base-Base interactions energy: -1777.317 where: short stacking energy: -720.254 Base-Backbone interact. energy: -1.832 local terms energy: -714.729277 where: bonds (distance) C4'-P energy: -126.479 bonds (distance) P-C4' energy: -116.511 flat angles C4'-P-C4' energy: -154.934 flat angles P-C4'-P energy: -94.686 tors. eta vs tors. theta energy: -222.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2311.829474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.829474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.829474 (E_RNA) where: Base-Base interactions energy: -1634.655 where: short stacking energy: -686.193 Base-Backbone interact. energy: -2.147 local terms energy: -675.027517 where: bonds (distance) C4'-P energy: -109.300 bonds (distance) P-C4' energy: -134.909 flat angles C4'-P-C4' energy: -144.250 flat angles P-C4'-P energy: -96.178 tors. eta vs tors. theta energy: -190.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2127.111440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.111440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.111440 (E_RNA) where: Base-Base interactions energy: -1492.901 where: short stacking energy: -606.047 Base-Backbone interact. energy: -1.915 local terms energy: -632.295308 where: bonds (distance) C4'-P energy: -111.949 bonds (distance) P-C4' energy: -117.723 flat angles C4'-P-C4' energy: -138.558 flat angles P-C4'-P energy: -86.097 tors. eta vs tors. theta energy: -177.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -2015.414741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.414741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.414741 (E_RNA) where: Base-Base interactions energy: -1391.033 where: short stacking energy: -574.344 Base-Backbone interact. energy: 1.484 local terms energy: -625.865467 where: bonds (distance) C4'-P energy: -121.328 bonds (distance) P-C4' energy: -127.721 flat angles C4'-P-C4' energy: -135.678 flat angles P-C4'-P energy: -90.448 tors. eta vs tors. theta energy: -150.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1638.812436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.812436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.812436 (E_RNA) where: Base-Base interactions energy: -1107.051 where: short stacking energy: -488.122 Base-Backbone interact. energy: -1.638 local terms energy: -530.123634 where: bonds (distance) C4'-P energy: -109.510 bonds (distance) P-C4' energy: -118.058 flat angles C4'-P-C4' energy: -118.688 flat angles P-C4'-P energy: -75.921 tors. eta vs tors. theta energy: -107.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1507.420600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.420600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.420600 (E_RNA) where: Base-Base interactions energy: -1061.380 where: short stacking energy: -429.649 Base-Backbone interact. energy: -0.003 local terms energy: -446.037463 where: bonds (distance) C4'-P energy: -75.804 bonds (distance) P-C4' energy: -112.133 flat angles C4'-P-C4' energy: -105.345 flat angles P-C4'-P energy: -60.144 tors. eta vs tors. theta energy: -92.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -840.169068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.169068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.169068 (E_RNA) where: Base-Base interactions energy: -464.073 where: short stacking energy: -233.633 Base-Backbone interact. energy: -2.842 local terms energy: -373.253535 where: bonds (distance) C4'-P energy: -107.778 bonds (distance) P-C4' energy: -111.850 flat angles C4'-P-C4' energy: -99.834 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -4.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2704.275065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.275065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.275065 (E_RNA) where: Base-Base interactions energy: -1947.961 where: short stacking energy: -766.204 Base-Backbone interact. energy: -3.930 local terms energy: -752.383966 where: bonds (distance) C4'-P energy: -127.502 bonds (distance) P-C4' energy: -130.061 flat angles C4'-P-C4' energy: -165.506 flat angles P-C4'-P energy: -100.160 tors. eta vs tors. theta energy: -229.154 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: 1 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2579.216497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.216497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.216497 (E_RNA) where: Base-Base interactions energy: -1833.392 where: short stacking energy: -753.673 Base-Backbone interact. energy: -0.762 local terms energy: -745.062993 where: bonds (distance) C4'-P energy: -125.350 bonds (distance) P-C4' energy: -137.364 flat angles C4'-P-C4' energy: -154.686 flat angles P-C4'-P energy: -98.221 tors. eta vs tors. theta energy: -229.442 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: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2523.413716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.413716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.413716 (E_RNA) where: Base-Base interactions energy: -1792.351 where: short stacking energy: -714.824 Base-Backbone interact. energy: -1.978 local terms energy: -729.084912 where: bonds (distance) C4'-P energy: -133.215 bonds (distance) P-C4' energy: -128.498 flat angles C4'-P-C4' energy: -149.707 flat angles P-C4'-P energy: -109.338 tors. eta vs tors. theta energy: -208.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2469.307853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.307853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.307853 (E_RNA) where: Base-Base interactions energy: -1725.097 where: short stacking energy: -696.522 Base-Backbone interact. energy: -2.501 local terms energy: -741.709693 where: bonds (distance) C4'-P energy: -135.902 bonds (distance) P-C4' energy: -135.769 flat angles C4'-P-C4' energy: -143.620 flat angles P-C4'-P energy: -99.823 tors. eta vs tors. theta energy: -226.596 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: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2343.281014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.281014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.281014 (E_RNA) where: Base-Base interactions energy: -1650.777 where: short stacking energy: -672.280 Base-Backbone interact. energy: -0.676 local terms energy: -691.828158 where: bonds (distance) C4'-P energy: -126.084 bonds (distance) P-C4' energy: -123.885 flat angles C4'-P-C4' energy: -143.585 flat angles P-C4'-P energy: -94.637 tors. eta vs tors. theta energy: -203.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2134.027004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.027004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.027004 (E_RNA) where: Base-Base interactions energy: -1493.238 where: short stacking energy: -630.054 Base-Backbone interact. energy: -0.701 local terms energy: -640.088528 where: bonds (distance) C4'-P energy: -115.679 bonds (distance) P-C4' energy: -116.341 flat angles C4'-P-C4' energy: -131.708 flat angles P-C4'-P energy: -89.971 tors. eta vs tors. theta energy: -186.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -2078.379466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.379466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.379466 (E_RNA) where: Base-Base interactions energy: -1442.106 where: short stacking energy: -632.419 Base-Backbone interact. energy: -1.034 local terms energy: -635.239709 where: bonds (distance) C4'-P energy: -112.319 bonds (distance) P-C4' energy: -125.310 flat angles C4'-P-C4' energy: -126.364 flat angles P-C4'-P energy: -89.857 tors. eta vs tors. theta energy: -181.390 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: 252 Temperature: 1.250000 Total energy: -1627.888143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.888143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.888143 (E_RNA) where: Base-Base interactions energy: -1064.099 where: short stacking energy: -465.119 Base-Backbone interact. energy: -0.869 local terms energy: -562.919780 where: bonds (distance) C4'-P energy: -122.487 bonds (distance) P-C4' energy: -119.732 flat angles C4'-P-C4' energy: -134.849 flat angles P-C4'-P energy: -68.034 tors. eta vs tors. theta energy: -117.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1514.152202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.152202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.152202 (E_RNA) where: Base-Base interactions energy: -988.897 where: short stacking energy: -453.019 Base-Backbone interact. energy: -0.582 local terms energy: -524.673732 where: bonds (distance) C4'-P energy: -107.749 bonds (distance) P-C4' energy: -115.427 flat angles C4'-P-C4' energy: -117.920 flat angles P-C4'-P energy: -69.777 tors. eta vs tors. theta energy: -113.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -802.220802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.220802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.220802 (E_RNA) where: Base-Base interactions energy: -423.688 where: short stacking energy: -231.531 Base-Backbone interact. energy: 0.706 local terms energy: -379.238377 where: bonds (distance) C4'-P energy: -102.015 bonds (distance) P-C4' energy: -99.943 flat angles C4'-P-C4' energy: -97.253 flat angles P-C4'-P energy: -47.186 tors. eta vs tors. theta energy: -32.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2695.697260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.697260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.697260 (E_RNA) where: Base-Base interactions energy: -1945.951 where: short stacking energy: -763.556 Base-Backbone interact. energy: -1.388 local terms energy: -748.358400 where: bonds (distance) C4'-P energy: -134.388 bonds (distance) P-C4' energy: -122.727 flat angles C4'-P-C4' energy: -162.383 flat angles P-C4'-P energy: -103.543 tors. eta vs tors. theta energy: -225.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2572.134485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.134485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.134485 (E_RNA) where: Base-Base interactions energy: -1813.637 where: short stacking energy: -734.578 Base-Backbone interact. energy: -1.764 local terms energy: -756.733573 where: bonds (distance) C4'-P energy: -131.208 bonds (distance) P-C4' energy: -137.866 flat angles C4'-P-C4' energy: -159.213 flat angles P-C4'-P energy: -109.887 tors. eta vs tors. theta energy: -218.559 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: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2531.971644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.971644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.971644 (E_RNA) where: Base-Base interactions energy: -1816.626 where: short stacking energy: -761.238 Base-Backbone interact. energy: -0.681 local terms energy: -714.664306 where: bonds (distance) C4'-P energy: -110.683 bonds (distance) P-C4' energy: -140.355 flat angles C4'-P-C4' energy: -140.367 flat angles P-C4'-P energy: -94.545 tors. eta vs tors. theta energy: -228.715 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: 9 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2472.774805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.774805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.774805 (E_RNA) where: Base-Base interactions energy: -1736.430 where: short stacking energy: -694.990 Base-Backbone interact. energy: -0.499 local terms energy: -735.845972 where: bonds (distance) C4'-P energy: -126.830 bonds (distance) P-C4' energy: -132.935 flat angles C4'-P-C4' energy: -154.456 flat angles P-C4'-P energy: -96.932 tors. eta vs tors. theta energy: -224.693 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: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2351.936047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.936047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.936047 (E_RNA) where: Base-Base interactions energy: -1647.857 where: short stacking energy: -682.019 Base-Backbone interact. energy: 2.189 local terms energy: -706.268350 where: bonds (distance) C4'-P energy: -130.974 bonds (distance) P-C4' energy: -134.872 flat angles C4'-P-C4' energy: -142.558 flat angles P-C4'-P energy: -88.682 tors. eta vs tors. theta energy: -209.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2090.535026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.535026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.535026 (E_RNA) where: Base-Base interactions energy: -1455.448 where: short stacking energy: -623.045 Base-Backbone interact. energy: -0.263 local terms energy: -634.824312 where: bonds (distance) C4'-P energy: -117.926 bonds (distance) P-C4' energy: -110.684 flat angles C4'-P-C4' energy: -127.202 flat angles P-C4'-P energy: -87.266 tors. eta vs tors. theta energy: -191.746 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: 7, replica: 4 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -2059.800418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.800418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.800418 (E_RNA) where: Base-Base interactions energy: -1421.823 where: short stacking energy: -586.882 Base-Backbone interact. energy: -1.331 local terms energy: -636.646273 where: bonds (distance) C4'-P energy: -117.572 bonds (distance) P-C4' energy: -122.382 flat angles C4'-P-C4' energy: -120.497 flat angles P-C4'-P energy: -102.546 tors. eta vs tors. theta energy: -173.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1611.047176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.047176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.047176 (E_RNA) where: Base-Base interactions energy: -1098.649 where: short stacking energy: -487.454 Base-Backbone interact. energy: -1.571 local terms energy: -510.827255 where: bonds (distance) C4'-P energy: -124.702 bonds (distance) P-C4' energy: -90.071 flat angles C4'-P-C4' energy: -134.664 flat angles P-C4'-P energy: -69.426 tors. eta vs tors. theta energy: -91.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1497.933330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.933330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.933330 (E_RNA) where: Base-Base interactions energy: -1001.723 where: short stacking energy: -438.246 Base-Backbone interact. energy: -1.804 local terms energy: -494.406166 where: bonds (distance) C4'-P energy: -118.226 bonds (distance) P-C4' energy: -97.033 flat angles C4'-P-C4' energy: -113.321 flat angles P-C4'-P energy: -61.975 tors. eta vs tors. theta energy: -103.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -791.301393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.301393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.301393 (E_RNA) where: Base-Base interactions energy: -393.201 where: short stacking energy: -201.047 Base-Backbone interact. energy: 0.662 local terms energy: -398.762517 where: bonds (distance) C4'-P energy: -100.765 bonds (distance) P-C4' energy: -120.969 flat angles C4'-P-C4' energy: -113.201 flat angles P-C4'-P energy: -54.232 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: 8 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2691.383621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.383621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.383621 (E_RNA) where: Base-Base interactions energy: -1932.075 where: short stacking energy: -764.386 Base-Backbone interact. energy: -1.560 local terms energy: -757.748432 where: bonds (distance) C4'-P energy: -132.894 bonds (distance) P-C4' energy: -131.147 flat angles C4'-P-C4' energy: -155.147 flat angles P-C4'-P energy: -108.993 tors. eta vs tors. theta energy: -229.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2563.528070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.528070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.528070 (E_RNA) where: Base-Base interactions energy: -1805.653 where: short stacking energy: -734.181 Base-Backbone interact. energy: -1.808 local terms energy: -756.067443 where: bonds (distance) C4'-P energy: -127.576 bonds (distance) P-C4' energy: -136.834 flat angles C4'-P-C4' energy: -165.393 flat angles P-C4'-P energy: -105.267 tors. eta vs tors. theta energy: -220.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2519.118860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.118860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.118860 (E_RNA) where: Base-Base interactions energy: -1760.969 where: short stacking energy: -733.548 Base-Backbone interact. energy: -1.024 local terms energy: -757.125385 where: bonds (distance) C4'-P energy: -119.693 bonds (distance) P-C4' energy: -126.148 flat angles C4'-P-C4' energy: -158.434 flat angles P-C4'-P energy: -118.935 tors. eta vs tors. theta energy: -233.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2501.986897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.986897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.986897 (E_RNA) where: Base-Base interactions energy: -1783.780 where: short stacking energy: -717.219 Base-Backbone interact. energy: -2.638 local terms energy: -715.569386 where: bonds (distance) C4'-P energy: -108.979 bonds (distance) P-C4' energy: -118.632 flat angles C4'-P-C4' energy: -155.974 flat angles P-C4'-P energy: -103.939 tors. eta vs tors. theta energy: -228.045 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: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2323.263742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.263742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.263742 (E_RNA) where: Base-Base interactions energy: -1644.033 where: short stacking energy: -670.963 Base-Backbone interact. energy: -0.901 local terms energy: -678.330122 where: bonds (distance) C4'-P energy: -115.031 bonds (distance) P-C4' energy: -106.682 flat angles C4'-P-C4' energy: -149.356 flat angles P-C4'-P energy: -102.038 tors. eta vs tors. theta energy: -205.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2172.265417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.265417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.265417 (E_RNA) where: Base-Base interactions energy: -1533.584 where: short stacking energy: -646.166 Base-Backbone interact. energy: -1.272 local terms energy: -637.409479 where: bonds (distance) C4'-P energy: -110.461 bonds (distance) P-C4' energy: -102.556 flat angles C4'-P-C4' energy: -147.854 flat angles P-C4'-P energy: -76.821 tors. eta vs tors. theta energy: -199.718 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: 254 Temperature: 1.200000 Total energy: -2100.048111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.048111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.048111 (E_RNA) where: Base-Base interactions energy: -1487.407 where: short stacking energy: -610.423 Base-Backbone interact. energy: -1.364 local terms energy: -611.276686 where: bonds (distance) C4'-P energy: -103.118 bonds (distance) P-C4' energy: -107.466 flat angles C4'-P-C4' energy: -138.200 flat angles P-C4'-P energy: -95.952 tors. eta vs tors. theta energy: -166.540 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: 3 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1545.188111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.188111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.188111 (E_RNA) where: Base-Base interactions energy: -1048.698 where: short stacking energy: -446.044 Base-Backbone interact. energy: 0.829 local terms energy: -497.319226 where: bonds (distance) C4'-P energy: -113.448 bonds (distance) P-C4' energy: -103.931 flat angles C4'-P-C4' energy: -126.632 flat angles P-C4'-P energy: -68.751 tors. eta vs tors. theta energy: -84.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1537.189571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.189571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.189571 (E_RNA) where: Base-Base interactions energy: -1051.187 where: short stacking energy: -457.153 Base-Backbone interact. energy: -3.753 local terms energy: -482.249637 where: bonds (distance) C4'-P energy: -86.904 bonds (distance) P-C4' energy: -106.666 flat angles C4'-P-C4' energy: -111.154 flat angles P-C4'-P energy: -65.981 tors. eta vs tors. theta energy: -111.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -803.711759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.711759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.711759 (E_RNA) where: Base-Base interactions energy: -441.454 where: short stacking energy: -223.184 Base-Backbone interact. energy: -3.036 local terms energy: -359.221981 where: bonds (distance) C4'-P energy: -110.790 bonds (distance) P-C4' energy: -106.970 flat angles C4'-P-C4' energy: -84.490 flat angles P-C4'-P energy: -54.136 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2678.537056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.537056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.537056 (E_RNA) where: Base-Base interactions energy: -1928.794 where: short stacking energy: -751.317 Base-Backbone interact. energy: -2.377 local terms energy: -747.366322 where: bonds (distance) C4'-P energy: -123.714 bonds (distance) P-C4' energy: -140.996 flat angles C4'-P-C4' energy: -150.362 flat angles P-C4'-P energy: -102.297 tors. eta vs tors. theta energy: -229.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2572.424109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.424109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.424109 (E_RNA) where: Base-Base interactions energy: -1808.151 where: short stacking energy: -725.743 Base-Backbone interact. energy: -2.218 local terms energy: -762.056084 where: bonds (distance) C4'-P energy: -127.151 bonds (distance) P-C4' energy: -140.121 flat angles C4'-P-C4' energy: -158.018 flat angles P-C4'-P energy: -107.435 tors. eta vs tors. theta energy: -229.331 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: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2536.584013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.584013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.584013 (E_RNA) where: Base-Base interactions energy: -1790.733 where: short stacking energy: -730.256 Base-Backbone interact. energy: -0.071 local terms energy: -745.779786 where: bonds (distance) C4'-P energy: -138.904 bonds (distance) P-C4' energy: -130.526 flat angles C4'-P-C4' energy: -152.963 flat angles P-C4'-P energy: -99.763 tors. eta vs tors. theta energy: -223.625 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: 4, replica: 1 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2464.384859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.384859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.384859 (E_RNA) where: Base-Base interactions energy: -1753.223 where: short stacking energy: -725.176 Base-Backbone interact. energy: -0.196 local terms energy: -710.965339 where: bonds (distance) C4'-P energy: -124.021 bonds (distance) P-C4' energy: -125.289 flat angles C4'-P-C4' energy: -145.723 flat angles P-C4'-P energy: -106.895 tors. eta vs tors. theta energy: -209.038 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: 2 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2367.936555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.936555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.936555 (E_RNA) where: Base-Base interactions energy: -1692.198 where: short stacking energy: -694.017 Base-Backbone interact. energy: 0.421 local terms energy: -676.159022 where: bonds (distance) C4'-P energy: -106.879 bonds (distance) P-C4' energy: -129.863 flat angles C4'-P-C4' energy: -139.603 flat angles P-C4'-P energy: -95.126 tors. eta vs tors. theta energy: -204.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2198.254668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.254668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.254668 (E_RNA) where: Base-Base interactions energy: -1557.682 where: short stacking energy: -627.258 Base-Backbone interact. energy: -0.633 local terms energy: -639.939140 where: bonds (distance) C4'-P energy: -101.182 bonds (distance) P-C4' energy: -122.926 flat angles C4'-P-C4' energy: -131.294 flat angles P-C4'-P energy: -92.434 tors. eta vs tors. theta energy: -192.104 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: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2139.710022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.710022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.710022 (E_RNA) where: Base-Base interactions energy: -1499.063 where: short stacking energy: -609.503 Base-Backbone interact. energy: -1.534 local terms energy: -639.112974 where: bonds (distance) C4'-P energy: -97.978 bonds (distance) P-C4' energy: -113.455 flat angles C4'-P-C4' energy: -142.670 flat angles P-C4'-P energy: -107.506 tors. eta vs tors. theta energy: -177.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1642.532660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.532660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.532660 (E_RNA) where: Base-Base interactions energy: -1137.589 where: short stacking energy: -493.908 Base-Backbone interact. energy: -0.344 local terms energy: -504.599155 where: bonds (distance) C4'-P energy: -83.886 bonds (distance) P-C4' energy: -126.476 flat angles C4'-P-C4' energy: -116.410 flat angles P-C4'-P energy: -70.775 tors. eta vs tors. theta energy: -107.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1580.830285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.830285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.830285 (E_RNA) where: Base-Base interactions energy: -1059.973 where: short stacking energy: -453.229 Base-Backbone interact. energy: -2.956 local terms energy: -517.901372 where: bonds (distance) C4'-P energy: -103.848 bonds (distance) P-C4' energy: -100.263 flat angles C4'-P-C4' energy: -111.038 flat angles P-C4'-P energy: -89.283 tors. eta vs tors. theta energy: -113.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -874.699622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.699622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.699622 (E_RNA) where: Base-Base interactions energy: -534.498 where: short stacking energy: -250.029 Base-Backbone interact. energy: 1.612 local terms energy: -341.813571 where: bonds (distance) C4'-P energy: -89.935 bonds (distance) P-C4' energy: -98.478 flat angles C4'-P-C4' energy: -89.604 flat angles P-C4'-P energy: -55.900 tors. eta vs tors. theta energy: -7.897 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: 1, replica: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2706.351255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.351255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.351255 (E_RNA) where: Base-Base interactions energy: -1940.529 where: short stacking energy: -765.305 Base-Backbone interact. energy: -4.723 local terms energy: -761.099106 where: bonds (distance) C4'-P energy: -128.948 bonds (distance) P-C4' energy: -132.301 flat angles C4'-P-C4' energy: -151.165 flat angles P-C4'-P energy: -113.219 tors. eta vs tors. theta energy: -235.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2584.090197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.090197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.090197 (E_RNA) where: Base-Base interactions energy: -1817.383 where: short stacking energy: -739.907 Base-Backbone interact. energy: -1.785 local terms energy: -764.922165 where: bonds (distance) C4'-P energy: -135.843 bonds (distance) P-C4' energy: -135.334 flat angles C4'-P-C4' energy: -167.127 flat angles P-C4'-P energy: -92.761 tors. eta vs tors. theta energy: -233.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2528.125288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.125288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.125288 (E_RNA) where: Base-Base interactions energy: -1832.285 where: short stacking energy: -752.422 Base-Backbone interact. energy: -2.140 local terms energy: -693.700635 where: bonds (distance) C4'-P energy: -109.633 bonds (distance) P-C4' energy: -114.358 flat angles C4'-P-C4' energy: -148.405 flat angles P-C4'-P energy: -103.033 tors. eta vs tors. theta energy: -218.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2462.146730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.146730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.146730 (E_RNA) where: Base-Base interactions energy: -1733.903 where: short stacking energy: -685.531 Base-Backbone interact. energy: -2.677 local terms energy: -725.566558 where: bonds (distance) C4'-P energy: -116.578 bonds (distance) P-C4' energy: -138.390 flat angles C4'-P-C4' energy: -154.982 flat angles P-C4'-P energy: -92.687 tors. eta vs tors. theta energy: -222.930 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: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2365.173980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.173980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.173980 (E_RNA) where: Base-Base interactions energy: -1699.103 where: short stacking energy: -698.642 Base-Backbone interact. energy: -1.052 local terms energy: -665.018414 where: bonds (distance) C4'-P energy: -121.466 bonds (distance) P-C4' energy: -104.782 flat angles C4'-P-C4' energy: -141.609 flat angles P-C4'-P energy: -87.840 tors. eta vs tors. theta energy: -209.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2271.095338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.095338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.095338 (E_RNA) where: Base-Base interactions energy: -1594.690 where: short stacking energy: -671.650 Base-Backbone interact. energy: -2.089 local terms energy: -674.316344 where: bonds (distance) C4'-P energy: -125.919 bonds (distance) P-C4' energy: -110.708 flat angles C4'-P-C4' energy: -136.353 flat angles P-C4'-P energy: -87.470 tors. eta vs tors. theta energy: -213.866 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: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -2176.244013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.244013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.244013 (E_RNA) where: Base-Base interactions energy: -1540.366 where: short stacking energy: -645.195 Base-Backbone interact. energy: 1.821 local terms energy: -637.699558 where: bonds (distance) C4'-P energy: -119.574 bonds (distance) P-C4' energy: -130.474 flat angles C4'-P-C4' energy: -121.174 flat angles P-C4'-P energy: -89.937 tors. eta vs tors. theta energy: -176.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1665.812325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.812325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.812325 (E_RNA) where: Base-Base interactions energy: -1120.356 where: short stacking energy: -512.301 Base-Backbone interact. energy: -0.536 local terms energy: -544.920328 where: bonds (distance) C4'-P energy: -100.231 bonds (distance) P-C4' energy: -107.440 flat angles C4'-P-C4' energy: -123.329 flat angles P-C4'-P energy: -92.162 tors. eta vs tors. theta energy: -121.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1485.844828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.844828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.844828 (E_RNA) where: Base-Base interactions energy: -970.941 where: short stacking energy: -429.731 Base-Backbone interact. energy: -0.586 local terms energy: -514.317520 where: bonds (distance) C4'-P energy: -113.075 bonds (distance) P-C4' energy: -111.099 flat angles C4'-P-C4' energy: -127.836 flat angles P-C4'-P energy: -62.330 tors. eta vs tors. theta energy: -99.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -873.721155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.721155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.721155 (E_RNA) where: Base-Base interactions energy: -476.686 where: short stacking energy: -250.546 Base-Backbone interact. energy: 0.790 local terms energy: -397.824469 where: bonds (distance) C4'-P energy: -114.510 bonds (distance) P-C4' energy: -100.136 flat angles C4'-P-C4' energy: -94.109 flat angles P-C4'-P energy: -55.009 tors. eta vs tors. theta energy: -34.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2707.387141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.387141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.387141 (E_RNA) where: Base-Base interactions energy: -1933.046 where: short stacking energy: -748.229 Base-Backbone interact. energy: -2.318 local terms energy: -772.023325 where: bonds (distance) C4'-P energy: -136.176 bonds (distance) P-C4' energy: -130.902 flat angles C4'-P-C4' energy: -160.782 flat angles P-C4'-P energy: -111.276 tors. eta vs tors. theta energy: -232.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2577.641036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.641036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.641036 (E_RNA) where: Base-Base interactions energy: -1827.637 where: short stacking energy: -741.609 Base-Backbone interact. energy: 0.734 local terms energy: -750.737912 where: bonds (distance) C4'-P energy: -131.379 bonds (distance) P-C4' energy: -134.630 flat angles C4'-P-C4' energy: -151.622 flat angles P-C4'-P energy: -98.000 tors. eta vs tors. theta energy: -235.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2519.824981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.824981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.824981 (E_RNA) where: Base-Base interactions energy: -1784.663 where: short stacking energy: -729.018 Base-Backbone interact. energy: -1.662 local terms energy: -733.500158 where: bonds (distance) C4'-P energy: -126.434 bonds (distance) P-C4' energy: -125.516 flat angles C4'-P-C4' energy: -148.466 flat angles P-C4'-P energy: -108.684 tors. eta vs tors. theta energy: -224.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2474.916667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.916667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.916667 (E_RNA) where: Base-Base interactions energy: -1740.994 where: short stacking energy: -707.809 Base-Backbone interact. energy: -2.563 local terms energy: -731.359279 where: bonds (distance) C4'-P energy: -129.718 bonds (distance) P-C4' energy: -118.273 flat angles C4'-P-C4' energy: -147.088 flat angles P-C4'-P energy: -109.593 tors. eta vs tors. theta energy: -226.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2354.402654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.402654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.402654 (E_RNA) where: Base-Base interactions energy: -1673.212 where: short stacking energy: -686.784 Base-Backbone interact. energy: -2.349 local terms energy: -678.841661 where: bonds (distance) C4'-P energy: -123.380 bonds (distance) P-C4' energy: -122.966 flat angles C4'-P-C4' energy: -144.211 flat angles P-C4'-P energy: -91.701 tors. eta vs tors. theta energy: -196.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2201.155031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.155031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.155031 (E_RNA) where: Base-Base interactions energy: -1592.010 where: short stacking energy: -643.754 Base-Backbone interact. energy: -1.328 local terms energy: -607.816577 where: bonds (distance) C4'-P energy: -94.842 bonds (distance) P-C4' energy: -115.926 flat angles C4'-P-C4' energy: -142.316 flat angles P-C4'-P energy: -71.414 tors. eta vs tors. theta energy: -183.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -2201.121669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.121669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.121669 (E_RNA) where: Base-Base interactions energy: -1547.028 where: short stacking energy: -654.233 Base-Backbone interact. energy: 2.287 local terms energy: -656.380662 where: bonds (distance) C4'-P energy: -112.633 bonds (distance) P-C4' energy: -113.993 flat angles C4'-P-C4' energy: -133.849 flat angles P-C4'-P energy: -88.940 tors. eta vs tors. theta energy: -206.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1724.608667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.608667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.608667 (E_RNA) where: Base-Base interactions energy: -1166.242 where: short stacking energy: -514.581 Base-Backbone interact. energy: -1.436 local terms energy: -556.930569 where: bonds (distance) C4'-P energy: -110.607 bonds (distance) P-C4' energy: -118.257 flat angles C4'-P-C4' energy: -117.351 flat angles P-C4'-P energy: -78.341 tors. eta vs tors. theta energy: -132.374 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: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1479.457588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.457588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.457588 (E_RNA) where: Base-Base interactions energy: -964.973 where: short stacking energy: -424.158 Base-Backbone interact. energy: -1.625 local terms energy: -512.860215 where: bonds (distance) C4'-P energy: -104.267 bonds (distance) P-C4' energy: -104.796 flat angles C4'-P-C4' energy: -111.593 flat angles P-C4'-P energy: -86.349 tors. eta vs tors. theta energy: -105.855 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: 6 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -855.635177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.635177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.635177 (E_RNA) where: Base-Base interactions energy: -501.596 where: short stacking energy: -268.772 Base-Backbone interact. energy: 8.376 local terms energy: -362.415233 where: bonds (distance) C4'-P energy: -113.578 bonds (distance) P-C4' energy: -110.535 flat angles C4'-P-C4' energy: -70.751 flat angles P-C4'-P energy: -49.598 tors. eta vs tors. theta energy: -17.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2704.615607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.615607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.615607 (E_RNA) where: Base-Base interactions energy: -1932.095 where: short stacking energy: -763.636 Base-Backbone interact. energy: -3.176 local terms energy: -769.344350 where: bonds (distance) C4'-P energy: -127.359 bonds (distance) P-C4' energy: -139.528 flat angles C4'-P-C4' energy: -155.718 flat angles P-C4'-P energy: -112.548 tors. eta vs tors. theta energy: -234.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2568.230033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.230033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.230033 (E_RNA) where: Base-Base interactions energy: -1824.051 where: short stacking energy: -743.975 Base-Backbone interact. energy: -0.246 local terms energy: -743.932330 where: bonds (distance) C4'-P energy: -119.719 bonds (distance) P-C4' energy: -127.522 flat angles C4'-P-C4' energy: -145.553 flat angles P-C4'-P energy: -121.280 tors. eta vs tors. theta energy: -229.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2534.751058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.751058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.751058 (E_RNA) where: Base-Base interactions energy: -1786.494 where: short stacking energy: -725.172 Base-Backbone interact. energy: -2.117 local terms energy: -746.140329 where: bonds (distance) C4'-P energy: -120.195 bonds (distance) P-C4' energy: -138.597 flat angles C4'-P-C4' energy: -154.047 flat angles P-C4'-P energy: -104.359 tors. eta vs tors. theta energy: -228.943 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: 10 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2460.669696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.669696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.669696 (E_RNA) where: Base-Base interactions energy: -1742.783 where: short stacking energy: -723.635 Base-Backbone interact. energy: 0.550 local terms energy: -718.436538 where: bonds (distance) C4'-P energy: -114.077 bonds (distance) P-C4' energy: -131.530 flat angles C4'-P-C4' energy: -147.037 flat angles P-C4'-P energy: -103.008 tors. eta vs tors. theta energy: -222.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2318.023073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.023073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.023073 (E_RNA) where: Base-Base interactions energy: -1627.662 where: short stacking energy: -691.164 Base-Backbone interact. energy: -0.927 local terms energy: -689.434386 where: bonds (distance) C4'-P energy: -107.513 bonds (distance) P-C4' energy: -124.364 flat angles C4'-P-C4' energy: -151.599 flat angles P-C4'-P energy: -100.047 tors. eta vs tors. theta energy: -205.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2285.481139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.481139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.481139 (E_RNA) where: Base-Base interactions energy: -1605.983 where: short stacking energy: -644.130 Base-Backbone interact. energy: -4.429 local terms energy: -675.068646 where: bonds (distance) C4'-P energy: -123.967 bonds (distance) P-C4' energy: -129.962 flat angles C4'-P-C4' energy: -146.933 flat angles P-C4'-P energy: -100.728 tors. eta vs tors. theta energy: -173.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -2081.899823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.899823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.899823 (E_RNA) where: Base-Base interactions energy: -1461.478 where: short stacking energy: -593.555 Base-Backbone interact. energy: -0.834 local terms energy: -619.587390 where: bonds (distance) C4'-P energy: -106.832 bonds (distance) P-C4' energy: -109.731 flat angles C4'-P-C4' energy: -138.636 flat angles P-C4'-P energy: -83.044 tors. eta vs tors. theta energy: -181.344 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: 3 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1649.649709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.649709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.649709 (E_RNA) where: Base-Base interactions energy: -1128.062 where: short stacking energy: -492.831 Base-Backbone interact. energy: -1.651 local terms energy: -519.937498 where: bonds (distance) C4'-P energy: -91.322 bonds (distance) P-C4' energy: -106.476 flat angles C4'-P-C4' energy: -130.571 flat angles P-C4'-P energy: -77.846 tors. eta vs tors. theta energy: -113.723 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: 258 Temperature: 1.300000 Total energy: -1526.583850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.583850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.583850 (E_RNA) where: Base-Base interactions energy: -1000.591 where: short stacking energy: -442.869 Base-Backbone interact. energy: 0.775 local terms energy: -526.768213 where: bonds (distance) C4'-P energy: -131.196 bonds (distance) P-C4' energy: -98.164 flat angles C4'-P-C4' energy: -110.248 flat angles P-C4'-P energy: -68.196 tors. eta vs tors. theta energy: -118.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -818.979301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.979301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.979301 (E_RNA) where: Base-Base interactions energy: -451.417 where: short stacking energy: -252.168 Base-Backbone interact. energy: 0.337 local terms energy: -367.899348 where: bonds (distance) C4'-P energy: -101.937 bonds (distance) P-C4' energy: -106.508 flat angles C4'-P-C4' energy: -111.450 flat angles P-C4'-P energy: -46.798 tors. eta vs tors. theta energy: -1.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2698.704456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.704456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.704456 (E_RNA) where: Base-Base interactions energy: -1942.620 where: short stacking energy: -763.562 Base-Backbone interact. energy: -2.025 local terms energy: -754.058857 where: bonds (distance) C4'-P energy: -128.128 bonds (distance) P-C4' energy: -125.412 flat angles C4'-P-C4' energy: -168.990 flat angles P-C4'-P energy: -108.103 tors. eta vs tors. theta energy: -223.427 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: 9 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2574.335721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.335721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.335721 (E_RNA) where: Base-Base interactions energy: -1826.681 where: short stacking energy: -745.826 Base-Backbone interact. energy: -1.097 local terms energy: -746.558024 where: bonds (distance) C4'-P energy: -141.150 bonds (distance) P-C4' energy: -122.240 flat angles C4'-P-C4' energy: -158.491 flat angles P-C4'-P energy: -100.868 tors. eta vs tors. theta energy: -223.808 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: 3, replica: 1 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2528.685253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.685253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.685253 (E_RNA) where: Base-Base interactions energy: -1774.865 where: short stacking energy: -726.959 Base-Backbone interact. energy: -1.760 local terms energy: -752.060949 where: bonds (distance) C4'-P energy: -130.909 bonds (distance) P-C4' energy: -130.667 flat angles C4'-P-C4' energy: -159.098 flat angles P-C4'-P energy: -109.655 tors. eta vs tors. theta energy: -221.731 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: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2470.508537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.508537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.508537 (E_RNA) where: Base-Base interactions energy: -1787.730 where: short stacking energy: -712.378 Base-Backbone interact. energy: -0.093 local terms energy: -682.684957 where: bonds (distance) C4'-P energy: -118.181 bonds (distance) P-C4' energy: -107.315 flat angles C4'-P-C4' energy: -150.376 flat angles P-C4'-P energy: -90.255 tors. eta vs tors. theta energy: -216.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2273.088410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.088410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.088410 (E_RNA) where: Base-Base interactions energy: -1649.390 where: short stacking energy: -652.982 Base-Backbone interact. energy: 1.744 local terms energy: -625.442707 where: bonds (distance) C4'-P energy: -104.079 bonds (distance) P-C4' energy: -102.433 flat angles C4'-P-C4' energy: -139.159 flat angles P-C4'-P energy: -85.185 tors. eta vs tors. theta energy: -194.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2210.863904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.863904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.863904 (E_RNA) where: Base-Base interactions energy: -1567.275 where: short stacking energy: -644.067 Base-Backbone interact. energy: -2.107 local terms energy: -641.482105 where: bonds (distance) C4'-P energy: -110.007 bonds (distance) P-C4' energy: -104.164 flat angles C4'-P-C4' energy: -134.744 flat angles P-C4'-P energy: -106.488 tors. eta vs tors. theta energy: -186.079 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: 5 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -2044.329532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.329532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.329532 (E_RNA) where: Base-Base interactions energy: -1426.879 where: short stacking energy: -600.279 Base-Backbone interact. energy: 0.024 local terms energy: -617.474268 where: bonds (distance) C4'-P energy: -119.964 bonds (distance) P-C4' energy: -112.261 flat angles C4'-P-C4' energy: -125.699 flat angles P-C4'-P energy: -91.916 tors. eta vs tors. theta energy: -167.633 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: 3 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1664.007759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.007759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.007759 (E_RNA) where: Base-Base interactions energy: -1141.620 where: short stacking energy: -476.240 Base-Backbone interact. energy: 2.807 local terms energy: -525.195146 where: bonds (distance) C4'-P energy: -98.062 bonds (distance) P-C4' energy: -110.802 flat angles C4'-P-C4' energy: -123.224 flat angles P-C4'-P energy: -76.139 tors. eta vs tors. theta energy: -116.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1484.180402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.180402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.180402 (E_RNA) where: Base-Base interactions energy: -985.687 where: short stacking energy: -428.966 Base-Backbone interact. energy: -0.315 local terms energy: -498.178377 where: bonds (distance) C4'-P energy: -90.959 bonds (distance) P-C4' energy: -129.914 flat angles C4'-P-C4' energy: -119.219 flat angles P-C4'-P energy: -64.234 tors. eta vs tors. theta energy: -93.852 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: 6 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -799.772091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.772091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.772091 (E_RNA) where: Base-Base interactions energy: -414.146 where: short stacking energy: -235.953 Base-Backbone interact. energy: -4.201 local terms energy: -381.425595 where: bonds (distance) C4'-P energy: -98.055 bonds (distance) P-C4' energy: -126.790 flat angles C4'-P-C4' energy: -106.707 flat angles P-C4'-P energy: -49.740 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: 1, replica: 8 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2720.578859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.578859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.578859 (E_RNA) where: Base-Base interactions energy: -1954.192 where: short stacking energy: -759.552 Base-Backbone interact. energy: -0.296 local terms energy: -766.090123 where: bonds (distance) C4'-P energy: -144.583 bonds (distance) P-C4' energy: -139.974 flat angles C4'-P-C4' energy: -160.064 flat angles P-C4'-P energy: -93.199 tors. eta vs tors. theta energy: -228.270 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: 9 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2564.335079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.335079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.335079 (E_RNA) where: Base-Base interactions energy: -1823.184 where: short stacking energy: -761.626 Base-Backbone interact. energy: -0.558 local terms energy: -740.592580 where: bonds (distance) C4'-P energy: -120.826 bonds (distance) P-C4' energy: -135.059 flat angles C4'-P-C4' energy: -142.018 flat angles P-C4'-P energy: -114.718 tors. eta vs tors. theta energy: -227.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2544.729978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.729978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.729978 (E_RNA) where: Base-Base interactions energy: -1827.212 where: short stacking energy: -758.315 Base-Backbone interact. energy: 1.265 local terms energy: -718.783150 where: bonds (distance) C4'-P energy: -125.684 bonds (distance) P-C4' energy: -123.683 flat angles C4'-P-C4' energy: -148.161 flat angles P-C4'-P energy: -89.954 tors. eta vs tors. theta energy: -231.302 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: 10 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2455.185131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.185131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.185131 (E_RNA) where: Base-Base interactions energy: -1774.321 where: short stacking energy: -712.652 Base-Backbone interact. energy: -2.505 local terms energy: -678.359517 where: bonds (distance) C4'-P energy: -111.726 bonds (distance) P-C4' energy: -120.083 flat angles C4'-P-C4' energy: -136.391 flat angles P-C4'-P energy: -95.086 tors. eta vs tors. theta energy: -215.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2338.044680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.044680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.044680 (E_RNA) where: Base-Base interactions energy: -1653.337 where: short stacking energy: -669.279 Base-Backbone interact. energy: -1.262 local terms energy: -683.445473 where: bonds (distance) C4'-P energy: -137.525 bonds (distance) P-C4' energy: -106.315 flat angles C4'-P-C4' energy: -141.382 flat angles P-C4'-P energy: -92.138 tors. eta vs tors. theta energy: -206.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2179.669760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.669760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.669760 (E_RNA) where: Base-Base interactions energy: -1520.092 where: short stacking energy: -641.385 Base-Backbone interact. energy: 1.017 local terms energy: -660.594594 where: bonds (distance) C4'-P energy: -111.729 bonds (distance) P-C4' energy: -130.214 flat angles C4'-P-C4' energy: -131.148 flat angles P-C4'-P energy: -99.614 tors. eta vs tors. theta energy: -187.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -2098.482292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.482292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.482292 (E_RNA) where: Base-Base interactions energy: -1469.672 where: short stacking energy: -598.783 Base-Backbone interact. energy: 3.317 local terms energy: -632.127158 where: bonds (distance) C4'-P energy: -109.252 bonds (distance) P-C4' energy: -113.825 flat angles C4'-P-C4' energy: -138.847 flat angles P-C4'-P energy: -79.709 tors. eta vs tors. theta energy: -190.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1677.857868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.857868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.857868 (E_RNA) where: Base-Base interactions energy: -1124.627 where: short stacking energy: -495.297 Base-Backbone interact. energy: -2.580 local terms energy: -550.651533 where: bonds (distance) C4'-P energy: -116.174 bonds (distance) P-C4' energy: -106.734 flat angles C4'-P-C4' energy: -130.178 flat angles P-C4'-P energy: -59.263 tors. eta vs tors. theta energy: -138.303 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: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1499.442780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.442780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.442780 (E_RNA) where: Base-Base interactions energy: -993.405 where: short stacking energy: -441.950 Base-Backbone interact. energy: -1.805 local terms energy: -504.232725 where: bonds (distance) C4'-P energy: -111.487 bonds (distance) P-C4' energy: -107.985 flat angles C4'-P-C4' energy: -106.768 flat angles P-C4'-P energy: -71.191 tors. eta vs tors. theta energy: -106.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -797.655063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.655063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.655063 (E_RNA) where: Base-Base interactions energy: -409.758 where: short stacking energy: -219.118 Base-Backbone interact. energy: 1.876 local terms energy: -389.772954 where: bonds (distance) C4'-P energy: -123.326 bonds (distance) P-C4' energy: -103.831 flat angles C4'-P-C4' energy: -94.894 flat angles P-C4'-P energy: -56.215 tors. eta vs tors. theta energy: -11.507 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: 8 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2710.517581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.517581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.517581 (E_RNA) where: Base-Base interactions energy: -1947.326 where: short stacking energy: -774.114 Base-Backbone interact. energy: -1.648 local terms energy: -761.543559 where: bonds (distance) C4'-P energy: -132.491 bonds (distance) P-C4' energy: -131.349 flat angles C4'-P-C4' energy: -159.796 flat angles P-C4'-P energy: -112.119 tors. eta vs tors. theta energy: -225.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2565.646547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.646547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.646547 (E_RNA) where: Base-Base interactions energy: -1830.861 where: short stacking energy: -753.825 Base-Backbone interact. energy: 1.032 local terms energy: -735.817684 where: bonds (distance) C4'-P energy: -133.943 bonds (distance) P-C4' energy: -114.038 flat angles C4'-P-C4' energy: -150.083 flat angles P-C4'-P energy: -111.060 tors. eta vs tors. theta energy: -226.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2529.649380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.649380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.649380 (E_RNA) where: Base-Base interactions energy: -1802.053 where: short stacking energy: -713.524 Base-Backbone interact. energy: -1.916 local terms energy: -725.680853 where: bonds (distance) C4'-P energy: -123.648 bonds (distance) P-C4' energy: -120.082 flat angles C4'-P-C4' energy: -153.377 flat angles P-C4'-P energy: -103.179 tors. eta vs tors. theta energy: -225.395 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: 10 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2495.122940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.122940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.122940 (E_RNA) where: Base-Base interactions energy: -1777.419 where: short stacking energy: -731.465 Base-Backbone interact. energy: -3.004 local terms energy: -714.699977 where: bonds (distance) C4'-P energy: -115.859 bonds (distance) P-C4' energy: -122.317 flat angles C4'-P-C4' energy: -153.173 flat angles P-C4'-P energy: -103.764 tors. eta vs tors. theta energy: -219.587 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: 2 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2367.055186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.055186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.055186 (E_RNA) where: Base-Base interactions energy: -1695.547 where: short stacking energy: -648.548 Base-Backbone interact. energy: -0.425 local terms energy: -671.083695 where: bonds (distance) C4'-P energy: -104.210 bonds (distance) P-C4' energy: -124.595 flat angles C4'-P-C4' energy: -147.271 flat angles P-C4'-P energy: -92.599 tors. eta vs tors. theta energy: -202.409 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: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2196.703613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.703613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.703613 (E_RNA) where: Base-Base interactions energy: -1549.997 where: short stacking energy: -639.583 Base-Backbone interact. energy: 4.042 local terms energy: -650.748200 where: bonds (distance) C4'-P energy: -114.625 bonds (distance) P-C4' energy: -122.063 flat angles C4'-P-C4' energy: -133.504 flat angles P-C4'-P energy: -95.555 tors. eta vs tors. theta energy: -185.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -2073.045718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.045718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.045718 (E_RNA) where: Base-Base interactions energy: -1447.740 where: short stacking energy: -574.566 Base-Backbone interact. energy: 1.796 local terms energy: -627.102361 where: bonds (distance) C4'-P energy: -115.279 bonds (distance) P-C4' energy: -115.454 flat angles C4'-P-C4' energy: -133.651 flat angles P-C4'-P energy: -92.082 tors. eta vs tors. theta energy: -170.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1674.271425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.271425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.271425 (E_RNA) where: Base-Base interactions energy: -1122.032 where: short stacking energy: -476.055 Base-Backbone interact. energy: 0.638 local terms energy: -552.878323 where: bonds (distance) C4'-P energy: -116.103 bonds (distance) P-C4' energy: -118.198 flat angles C4'-P-C4' energy: -126.285 flat angles P-C4'-P energy: -86.699 tors. eta vs tors. theta energy: -105.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1416.669671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.669671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.669671 (E_RNA) where: Base-Base interactions energy: -946.924 where: short stacking energy: -427.520 Base-Backbone interact. energy: 2.197 local terms energy: -471.942604 where: bonds (distance) C4'-P energy: -93.696 bonds (distance) P-C4' energy: -119.252 flat angles C4'-P-C4' energy: -109.661 flat angles P-C4'-P energy: -53.290 tors. eta vs tors. theta energy: -96.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -793.555121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.555121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.555121 (E_RNA) where: Base-Base interactions energy: -442.823 where: short stacking energy: -219.684 Base-Backbone interact. energy: -0.412 local terms energy: -350.319565 where: bonds (distance) C4'-P energy: -95.754 bonds (distance) P-C4' energy: -102.805 flat angles C4'-P-C4' energy: -104.736 flat angles P-C4'-P energy: -37.577 tors. eta vs tors. theta energy: -9.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2702.652178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.652178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.652178 (E_RNA) where: Base-Base interactions energy: -1948.446 where: short stacking energy: -767.724 Base-Backbone interact. energy: -2.679 local terms energy: -751.527056 where: bonds (distance) C4'-P energy: -119.298 bonds (distance) P-C4' energy: -133.271 flat angles C4'-P-C4' energy: -164.295 flat angles P-C4'-P energy: -100.214 tors. eta vs tors. theta energy: -234.449 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: 1 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2557.375676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.375676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.375676 (E_RNA) where: Base-Base interactions energy: -1815.858 where: short stacking energy: -756.324 Base-Backbone interact. energy: 0.469 local terms energy: -741.986634 where: bonds (distance) C4'-P energy: -133.410 bonds (distance) P-C4' energy: -140.476 flat angles C4'-P-C4' energy: -149.490 flat angles P-C4'-P energy: -96.243 tors. eta vs tors. theta energy: -222.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2544.449457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.449457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.449457 (E_RNA) where: Base-Base interactions energy: -1813.862 where: short stacking energy: -722.679 Base-Backbone interact. energy: -1.172 local terms energy: -729.416244 where: bonds (distance) C4'-P energy: -123.708 bonds (distance) P-C4' energy: -136.128 flat angles C4'-P-C4' energy: -148.007 flat angles P-C4'-P energy: -97.234 tors. eta vs tors. theta energy: -224.339 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: 10 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2501.176129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.176129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.176129 (E_RNA) where: Base-Base interactions energy: -1780.283 where: short stacking energy: -719.242 Base-Backbone interact. energy: -1.900 local terms energy: -718.993026 where: bonds (distance) C4'-P energy: -126.605 bonds (distance) P-C4' energy: -127.369 flat angles C4'-P-C4' energy: -147.611 flat angles P-C4'-P energy: -98.066 tors. eta vs tors. theta energy: -219.341 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: 2 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2333.223232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.223232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.223232 (E_RNA) where: Base-Base interactions energy: -1608.032 where: short stacking energy: -664.524 Base-Backbone interact. energy: 0.993 local terms energy: -726.184720 where: bonds (distance) C4'-P energy: -118.458 bonds (distance) P-C4' energy: -128.836 flat angles C4'-P-C4' energy: -155.158 flat angles P-C4'-P energy: -113.799 tors. eta vs tors. theta energy: -209.933 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: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2234.949918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.949918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.949918 (E_RNA) where: Base-Base interactions energy: -1621.963 where: short stacking energy: -647.228 Base-Backbone interact. energy: 4.349 local terms energy: -617.335743 where: bonds (distance) C4'-P energy: -96.287 bonds (distance) P-C4' energy: -99.097 flat angles C4'-P-C4' energy: -141.833 flat angles P-C4'-P energy: -102.078 tors. eta vs tors. theta energy: -178.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -2072.823231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.823231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.823231 (E_RNA) where: Base-Base interactions energy: -1434.310 where: short stacking energy: -605.220 Base-Backbone interact. energy: -3.223 local terms energy: -635.290675 where: bonds (distance) C4'-P energy: -119.246 bonds (distance) P-C4' energy: -119.924 flat angles C4'-P-C4' energy: -134.650 flat angles P-C4'-P energy: -77.664 tors. eta vs tors. theta energy: -183.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1734.583693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.583693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.583693 (E_RNA) where: Base-Base interactions energy: -1182.851 where: short stacking energy: -495.875 Base-Backbone interact. energy: -0.543 local terms energy: -551.189484 where: bonds (distance) C4'-P energy: -96.943 bonds (distance) P-C4' energy: -108.497 flat angles C4'-P-C4' energy: -125.053 flat angles P-C4'-P energy: -82.245 tors. eta vs tors. theta energy: -138.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1538.274253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.274253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.274253 (E_RNA) where: Base-Base interactions energy: -1021.107 where: short stacking energy: -459.436 Base-Backbone interact. energy: -2.553 local terms energy: -514.615153 where: bonds (distance) C4'-P energy: -101.430 bonds (distance) P-C4' energy: -114.288 flat angles C4'-P-C4' energy: -115.398 flat angles P-C4'-P energy: -61.311 tors. eta vs tors. theta energy: -122.188 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: 6 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -780.782345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.782345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.782345 (E_RNA) where: Base-Base interactions energy: -417.291 where: short stacking energy: -223.682 Base-Backbone interact. energy: 6.066 local terms energy: -369.557837 where: bonds (distance) C4'-P energy: -99.902 bonds (distance) P-C4' energy: -105.258 flat angles C4'-P-C4' energy: -93.940 flat angles P-C4'-P energy: -67.624 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2706.561975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.561975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.561975 (E_RNA) where: Base-Base interactions energy: -1939.649 where: short stacking energy: -788.456 Base-Backbone interact. energy: -2.464 local terms energy: -764.448867 where: bonds (distance) C4'-P energy: -136.748 bonds (distance) P-C4' energy: -126.948 flat angles C4'-P-C4' energy: -164.042 flat angles P-C4'-P energy: -97.766 tors. eta vs tors. theta energy: -238.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2542.867107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.867107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.867107 (E_RNA) where: Base-Base interactions energy: -1799.491 where: short stacking energy: -754.662 Base-Backbone interact. energy: 0.939 local terms energy: -744.314873 where: bonds (distance) C4'-P energy: -124.207 bonds (distance) P-C4' energy: -123.155 flat angles C4'-P-C4' energy: -158.290 flat angles P-C4'-P energy: -117.729 tors. eta vs tors. theta energy: -220.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2556.203806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.203806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.203806 (E_RNA) where: Base-Base interactions energy: -1813.389 where: short stacking energy: -724.752 Base-Backbone interact. energy: -0.531 local terms energy: -742.284410 where: bonds (distance) C4'-P energy: -133.475 bonds (distance) P-C4' energy: -120.691 flat angles C4'-P-C4' energy: -148.070 flat angles P-C4'-P energy: -106.091 tors. eta vs tors. theta energy: -233.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2467.473226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.473226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.473226 (E_RNA) where: Base-Base interactions energy: -1767.595 where: short stacking energy: -694.558 Base-Backbone interact. energy: -1.986 local terms energy: -697.891961 where: bonds (distance) C4'-P energy: -126.392 bonds (distance) P-C4' energy: -124.724 flat angles C4'-P-C4' energy: -148.142 flat angles P-C4'-P energy: -93.577 tors. eta vs tors. theta energy: -205.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2329.947482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.947482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.947482 (E_RNA) where: Base-Base interactions energy: -1653.488 where: short stacking energy: -666.538 Base-Backbone interact. energy: 0.540 local terms energy: -677.000036 where: bonds (distance) C4'-P energy: -118.859 bonds (distance) P-C4' energy: -120.061 flat angles C4'-P-C4' energy: -150.768 flat angles P-C4'-P energy: -91.782 tors. eta vs tors. theta energy: -195.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2239.332370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.332370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.332370 (E_RNA) where: Base-Base interactions energy: -1555.807 where: short stacking energy: -640.043 Base-Backbone interact. energy: -2.726 local terms energy: -680.799094 where: bonds (distance) C4'-P energy: -131.242 bonds (distance) P-C4' energy: -120.008 flat angles C4'-P-C4' energy: -151.012 flat angles P-C4'-P energy: -94.669 tors. eta vs tors. theta energy: -183.868 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: 7, replica: 5 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -2070.684129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.684129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.684129 (E_RNA) where: Base-Base interactions energy: -1430.244 where: short stacking energy: -579.389 Base-Backbone interact. energy: -1.811 local terms energy: -638.629750 where: bonds (distance) C4'-P energy: -119.183 bonds (distance) P-C4' energy: -110.685 flat angles C4'-P-C4' energy: -134.271 flat angles P-C4'-P energy: -92.699 tors. eta vs tors. theta energy: -181.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1714.724633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.724633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.724633 (E_RNA) where: Base-Base interactions energy: -1161.144 where: short stacking energy: -500.855 Base-Backbone interact. energy: -1.377 local terms energy: -552.203742 where: bonds (distance) C4'-P energy: -108.518 bonds (distance) P-C4' energy: -114.193 flat angles C4'-P-C4' energy: -128.557 flat angles P-C4'-P energy: -75.767 tors. eta vs tors. theta energy: -125.169 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: 7 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1494.538417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.538417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.538417 (E_RNA) where: Base-Base interactions energy: -960.260 where: short stacking energy: -471.334 Base-Backbone interact. energy: -1.894 local terms energy: -532.385203 where: bonds (distance) C4'-P energy: -102.230 bonds (distance) P-C4' energy: -119.261 flat angles C4'-P-C4' energy: -110.667 flat angles P-C4'-P energy: -72.625 tors. eta vs tors. theta energy: -127.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -810.300530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.300530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.300530 (E_RNA) where: Base-Base interactions energy: -459.426 where: short stacking energy: -226.212 Base-Backbone interact. energy: 4.377 local terms energy: -355.251320 where: bonds (distance) C4'-P energy: -114.132 bonds (distance) P-C4' energy: -108.928 flat angles C4'-P-C4' energy: -86.752 flat angles P-C4'-P energy: -50.049 tors. eta vs tors. theta energy: 4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2714.247144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.247144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.247144 (E_RNA) where: Base-Base interactions energy: -1962.882 where: short stacking energy: -778.966 Base-Backbone interact. energy: -3.860 local terms energy: -747.504512 where: bonds (distance) C4'-P energy: -115.984 bonds (distance) P-C4' energy: -138.785 flat angles C4'-P-C4' energy: -155.548 flat angles P-C4'-P energy: -110.029 tors. eta vs tors. theta energy: -227.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2568.225552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.225552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.225552 (E_RNA) where: Base-Base interactions energy: -1844.658 where: short stacking energy: -762.829 Base-Backbone interact. energy: -3.171 local terms energy: -720.396823 where: bonds (distance) C4'-P energy: -118.260 bonds (distance) P-C4' energy: -118.300 flat angles C4'-P-C4' energy: -156.676 flat angles P-C4'-P energy: -89.697 tors. eta vs tors. theta energy: -237.463 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: 264 Temperature: 1.000000 Total energy: -2522.606481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.606481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.606481 (E_RNA) where: Base-Base interactions energy: -1774.434 where: short stacking energy: -701.992 Base-Backbone interact. energy: -3.093 local terms energy: -745.079220 where: bonds (distance) C4'-P energy: -144.064 bonds (distance) P-C4' energy: -128.336 flat angles C4'-P-C4' energy: -149.299 flat angles P-C4'-P energy: -106.314 tors. eta vs tors. theta energy: -217.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2473.902503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.902503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.902503 (E_RNA) where: Base-Base interactions energy: -1748.469 where: short stacking energy: -713.021 Base-Backbone interact. energy: -3.416 local terms energy: -722.017519 where: bonds (distance) C4'-P energy: -120.492 bonds (distance) P-C4' energy: -117.617 flat angles C4'-P-C4' energy: -155.033 flat angles P-C4'-P energy: -106.910 tors. eta vs tors. theta energy: -221.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2363.137826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.137826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.137826 (E_RNA) where: Base-Base interactions energy: -1674.403 where: short stacking energy: -683.257 Base-Backbone interact. energy: -2.404 local terms energy: -686.330487 where: bonds (distance) C4'-P energy: -118.823 bonds (distance) P-C4' energy: -125.366 flat angles C4'-P-C4' energy: -142.311 flat angles P-C4'-P energy: -95.809 tors. eta vs tors. theta energy: -204.022 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: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2242.825208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.825208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.825208 (E_RNA) where: Base-Base interactions energy: -1578.039 where: short stacking energy: -658.418 Base-Backbone interact. energy: -1.983 local terms energy: -662.803646 where: bonds (distance) C4'-P energy: -110.062 bonds (distance) P-C4' energy: -119.269 flat angles C4'-P-C4' energy: -157.633 flat angles P-C4'-P energy: -85.081 tors. eta vs tors. theta energy: -190.758 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: 5 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2040.905684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.905684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.905684 (E_RNA) where: Base-Base interactions energy: -1422.496 where: short stacking energy: -584.056 Base-Backbone interact. energy: -0.789 local terms energy: -617.620570 where: bonds (distance) C4'-P energy: -100.309 bonds (distance) P-C4' energy: -116.579 flat angles C4'-P-C4' energy: -128.706 flat angles P-C4'-P energy: -88.054 tors. eta vs tors. theta energy: -183.973 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: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1785.933962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.933962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.933962 (E_RNA) where: Base-Base interactions energy: -1214.709 where: short stacking energy: -538.550 Base-Backbone interact. energy: -1.778 local terms energy: -569.447002 where: bonds (distance) C4'-P energy: -107.125 bonds (distance) P-C4' energy: -123.795 flat angles C4'-P-C4' energy: -124.339 flat angles P-C4'-P energy: -82.483 tors. eta vs tors. theta energy: -131.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1485.269262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.269262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.269262 (E_RNA) where: Base-Base interactions energy: -979.609 where: short stacking energy: -426.274 Base-Backbone interact. energy: 0.304 local terms energy: -505.964225 where: bonds (distance) C4'-P energy: -89.748 bonds (distance) P-C4' energy: -109.056 flat angles C4'-P-C4' energy: -121.890 flat angles P-C4'-P energy: -71.185 tors. eta vs tors. theta energy: -114.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -819.379445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.379445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.379445 (E_RNA) where: Base-Base interactions energy: -398.557 where: short stacking energy: -223.524 Base-Backbone interact. energy: -3.311 local terms energy: -417.511197 where: bonds (distance) C4'-P energy: -116.848 bonds (distance) P-C4' energy: -109.558 flat angles C4'-P-C4' energy: -99.880 flat angles P-C4'-P energy: -76.984 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: 1, replica: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2718.808237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.808237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.808237 (E_RNA) where: Base-Base interactions energy: -1952.021 where: short stacking energy: -767.058 Base-Backbone interact. energy: -0.648 local terms energy: -766.139526 where: bonds (distance) C4'-P energy: -140.085 bonds (distance) P-C4' energy: -126.336 flat angles C4'-P-C4' energy: -164.677 flat angles P-C4'-P energy: -105.719 tors. eta vs tors. theta energy: -229.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2595.817738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.817738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.817738 (E_RNA) where: Base-Base interactions energy: -1835.725 where: short stacking energy: -761.735 Base-Backbone interact. energy: -0.659 local terms energy: -759.433582 where: bonds (distance) C4'-P energy: -137.373 bonds (distance) P-C4' energy: -135.136 flat angles C4'-P-C4' energy: -152.522 flat angles P-C4'-P energy: -108.002 tors. eta vs tors. theta energy: -226.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2509.831515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.831515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.831515 (E_RNA) where: Base-Base interactions energy: -1789.655 where: short stacking energy: -716.606 Base-Backbone interact. energy: -0.426 local terms energy: -719.750584 where: bonds (distance) C4'-P energy: -126.781 bonds (distance) P-C4' energy: -123.533 flat angles C4'-P-C4' energy: -146.419 flat angles P-C4'-P energy: -107.728 tors. eta vs tors. theta energy: -215.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2524.048217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.048217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.048217 (E_RNA) where: Base-Base interactions energy: -1809.400 where: short stacking energy: -719.389 Base-Backbone interact. energy: -1.650 local terms energy: -712.997731 where: bonds (distance) C4'-P energy: -117.789 bonds (distance) P-C4' energy: -122.013 flat angles C4'-P-C4' energy: -159.572 flat angles P-C4'-P energy: -98.795 tors. eta vs tors. theta energy: -214.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2371.550066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.550066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.550066 (E_RNA) where: Base-Base interactions energy: -1694.292 where: short stacking energy: -707.053 Base-Backbone interact. energy: -1.446 local terms energy: -675.811987 where: bonds (distance) C4'-P energy: -112.053 bonds (distance) P-C4' energy: -115.290 flat angles C4'-P-C4' energy: -144.595 flat angles P-C4'-P energy: -97.631 tors. eta vs tors. theta energy: -206.242 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: 265 Temperature: 1.150000 Total energy: -2254.981986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.981986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.981986 (E_RNA) where: Base-Base interactions energy: -1577.244 where: short stacking energy: -655.096 Base-Backbone interact. energy: -2.143 local terms energy: -675.594493 where: bonds (distance) C4'-P energy: -110.503 bonds (distance) P-C4' energy: -125.381 flat angles C4'-P-C4' energy: -155.594 flat angles P-C4'-P energy: -91.928 tors. eta vs tors. theta energy: -192.188 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: 5 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1993.473960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.473960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.473960 (E_RNA) where: Base-Base interactions energy: -1400.515 where: short stacking energy: -577.898 Base-Backbone interact. energy: -1.465 local terms energy: -591.494742 where: bonds (distance) C4'-P energy: -87.703 bonds (distance) P-C4' energy: -112.609 flat angles C4'-P-C4' energy: -134.514 flat angles P-C4'-P energy: -93.070 tors. eta vs tors. theta energy: -163.599 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: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1753.369251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.369251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.369251 (E_RNA) where: Base-Base interactions energy: -1204.821 where: short stacking energy: -487.258 Base-Backbone interact. energy: -0.067 local terms energy: -548.480637 where: bonds (distance) C4'-P energy: -112.703 bonds (distance) P-C4' energy: -103.554 flat angles C4'-P-C4' energy: -136.945 flat angles P-C4'-P energy: -82.112 tors. eta vs tors. theta energy: -113.166 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: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1415.223800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.223800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.223800 (E_RNA) where: Base-Base interactions energy: -944.317 where: short stacking energy: -411.352 Base-Backbone interact. energy: 1.425 local terms energy: -472.331559 where: bonds (distance) C4'-P energy: -106.252 bonds (distance) P-C4' energy: -104.525 flat angles C4'-P-C4' energy: -102.036 flat angles P-C4'-P energy: -63.223 tors. eta vs tors. theta energy: -96.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -778.970071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.970071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.970071 (E_RNA) where: Base-Base interactions energy: -393.109 where: short stacking energy: -203.151 Base-Backbone interact. energy: 0.296 local terms energy: -386.156752 where: bonds (distance) C4'-P energy: -117.102 bonds (distance) P-C4' energy: -120.917 flat angles C4'-P-C4' energy: -102.604 flat angles P-C4'-P energy: -50.638 tors. eta vs tors. theta energy: 5.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2670.632839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.632839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.632839 (E_RNA) where: Base-Base interactions energy: -1932.323 where: short stacking energy: -756.838 Base-Backbone interact. energy: -3.674 local terms energy: -734.635864 where: bonds (distance) C4'-P energy: -135.036 bonds (distance) P-C4' energy: -134.595 flat angles C4'-P-C4' energy: -146.909 flat angles P-C4'-P energy: -96.154 tors. eta vs tors. theta energy: -221.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2583.698165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.698165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.698165 (E_RNA) where: Base-Base interactions energy: -1843.961 where: short stacking energy: -780.226 Base-Backbone interact. energy: -2.191 local terms energy: -737.546286 where: bonds (distance) C4'-P energy: -132.676 bonds (distance) P-C4' energy: -119.038 flat angles C4'-P-C4' energy: -157.709 flat angles P-C4'-P energy: -97.811 tors. eta vs tors. theta energy: -230.312 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: 10 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2563.633403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.633403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.633403 (E_RNA) where: Base-Base interactions energy: -1821.185 where: short stacking energy: -731.607 Base-Backbone interact. energy: -3.975 local terms energy: -738.472792 where: bonds (distance) C4'-P energy: -124.103 bonds (distance) P-C4' energy: -128.479 flat angles C4'-P-C4' energy: -162.278 flat angles P-C4'-P energy: -97.385 tors. eta vs tors. theta energy: -226.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2464.524953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.524953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.524953 (E_RNA) where: Base-Base interactions energy: -1746.022 where: short stacking energy: -691.114 Base-Backbone interact. energy: -1.957 local terms energy: -716.545997 where: bonds (distance) C4'-P energy: -116.572 bonds (distance) P-C4' energy: -134.121 flat angles C4'-P-C4' energy: -144.949 flat angles P-C4'-P energy: -100.770 tors. eta vs tors. theta energy: -220.135 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: 4 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2310.723941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.723941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.723941 (E_RNA) where: Base-Base interactions energy: -1651.703 where: short stacking energy: -657.778 Base-Backbone interact. energy: 3.196 local terms energy: -662.216221 where: bonds (distance) C4'-P energy: -99.319 bonds (distance) P-C4' energy: -128.120 flat angles C4'-P-C4' energy: -152.443 flat angles P-C4'-P energy: -87.578 tors. eta vs tors. theta energy: -194.757 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: 6, replica: 2 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2245.055893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.055893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.055893 (E_RNA) where: Base-Base interactions energy: -1581.661 where: short stacking energy: -647.425 Base-Backbone interact. energy: -1.872 local terms energy: -661.523604 where: bonds (distance) C4'-P energy: -105.151 bonds (distance) P-C4' energy: -134.481 flat angles C4'-P-C4' energy: -141.538 flat angles P-C4'-P energy: -88.661 tors. eta vs tors. theta energy: -191.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -2125.653714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.653714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.653714 (E_RNA) where: Base-Base interactions energy: -1500.788 where: short stacking energy: -622.052 Base-Backbone interact. energy: -0.548 local terms energy: -624.317634 where: bonds (distance) C4'-P energy: -113.049 bonds (distance) P-C4' energy: -110.537 flat angles C4'-P-C4' energy: -133.000 flat angles P-C4'-P energy: -78.918 tors. eta vs tors. theta energy: -188.814 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: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1722.973180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.973180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.973180 (E_RNA) where: Base-Base interactions energy: -1181.439 where: short stacking energy: -507.424 Base-Backbone interact. energy: 1.683 local terms energy: -543.217400 where: bonds (distance) C4'-P energy: -111.755 bonds (distance) P-C4' energy: -111.262 flat angles C4'-P-C4' energy: -116.925 flat angles P-C4'-P energy: -59.308 tors. eta vs tors. theta energy: -143.966 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: 9, replica: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1495.077112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.077112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.077112 (E_RNA) where: Base-Base interactions energy: -996.073 where: short stacking energy: -449.728 Base-Backbone interact. energy: 2.887 local terms energy: -501.890947 where: bonds (distance) C4'-P energy: -106.588 bonds (distance) P-C4' energy: -124.812 flat angles C4'-P-C4' energy: -111.972 flat angles P-C4'-P energy: -61.135 tors. eta vs tors. theta energy: -97.383 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: 6 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -798.888392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.888392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.888392 (E_RNA) where: Base-Base interactions energy: -419.822 where: short stacking energy: -219.701 Base-Backbone interact. energy: -5.318 local terms energy: -373.748893 where: bonds (distance) C4'-P energy: -109.637 bonds (distance) P-C4' energy: -101.316 flat angles C4'-P-C4' energy: -76.820 flat angles P-C4'-P energy: -73.404 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: 1, replica: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2685.009080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.009080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.009080 (E_RNA) where: Base-Base interactions energy: -1932.537 where: short stacking energy: -757.627 Base-Backbone interact. energy: -0.402 local terms energy: -752.070393 where: bonds (distance) C4'-P energy: -129.867 bonds (distance) P-C4' energy: -140.131 flat angles C4'-P-C4' energy: -154.862 flat angles P-C4'-P energy: -99.731 tors. eta vs tors. theta energy: -227.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2578.760261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.760261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.760261 (E_RNA) where: Base-Base interactions energy: -1825.041 where: short stacking energy: -740.966 Base-Backbone interact. energy: 0.327 local terms energy: -754.045881 where: bonds (distance) C4'-P energy: -125.322 bonds (distance) P-C4' energy: -136.052 flat angles C4'-P-C4' energy: -158.514 flat angles P-C4'-P energy: -106.013 tors. eta vs tors. theta energy: -228.145 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: 10 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2532.362436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.362436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.362436 (E_RNA) where: Base-Base interactions energy: -1805.205 where: short stacking energy: -745.942 Base-Backbone interact. energy: -3.586 local terms energy: -723.571776 where: bonds (distance) C4'-P energy: -123.152 bonds (distance) P-C4' energy: -124.477 flat angles C4'-P-C4' energy: -149.719 flat angles P-C4'-P energy: -99.143 tors. eta vs tors. theta energy: -227.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2458.019039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.019039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.019039 (E_RNA) where: Base-Base interactions energy: -1724.380 where: short stacking energy: -685.349 Base-Backbone interact. energy: 5.588 local terms energy: -739.226936 where: bonds (distance) C4'-P energy: -142.594 bonds (distance) P-C4' energy: -126.365 flat angles C4'-P-C4' energy: -143.800 flat angles P-C4'-P energy: -113.363 tors. eta vs tors. theta energy: -213.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2324.389720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.389720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.389720 (E_RNA) where: Base-Base interactions energy: -1635.134 where: short stacking energy: -663.734 Base-Backbone interact. energy: -3.770 local terms energy: -685.486247 where: bonds (distance) C4'-P energy: -111.720 bonds (distance) P-C4' energy: -117.601 flat angles C4'-P-C4' energy: -154.074 flat angles P-C4'-P energy: -99.425 tors. eta vs tors. theta energy: -202.666 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: 6, replica: 2 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2295.486787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.486787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.486787 (E_RNA) where: Base-Base interactions energy: -1626.037 where: short stacking energy: -646.319 Base-Backbone interact. energy: -2.175 local terms energy: -667.274419 where: bonds (distance) C4'-P energy: -104.989 bonds (distance) P-C4' energy: -124.686 flat angles C4'-P-C4' energy: -135.697 flat angles P-C4'-P energy: -96.732 tors. eta vs tors. theta energy: -205.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -2127.100469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.100469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.100469 (E_RNA) where: Base-Base interactions energy: -1491.987 where: short stacking energy: -625.807 Base-Backbone interact. energy: 2.393 local terms energy: -637.506283 where: bonds (distance) C4'-P energy: -121.495 bonds (distance) P-C4' energy: -91.665 flat angles C4'-P-C4' energy: -135.235 flat angles P-C4'-P energy: -95.428 tors. eta vs tors. theta energy: -193.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1784.985183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.985183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.985183 (E_RNA) where: Base-Base interactions energy: -1233.171 where: short stacking energy: -533.072 Base-Backbone interact. energy: -0.163 local terms energy: -551.650779 where: bonds (distance) C4'-P energy: -117.661 bonds (distance) P-C4' energy: -112.129 flat angles C4'-P-C4' energy: -119.947 flat angles P-C4'-P energy: -79.479 tors. eta vs tors. theta energy: -122.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1497.786353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.786353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.786353 (E_RNA) where: Base-Base interactions energy: -990.442 where: short stacking energy: -454.508 Base-Backbone interact. energy: 1.596 local terms energy: -508.940918 where: bonds (distance) C4'-P energy: -90.953 bonds (distance) P-C4' energy: -116.143 flat angles C4'-P-C4' energy: -114.357 flat angles P-C4'-P energy: -73.981 tors. eta vs tors. theta energy: -113.507 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: 10, replica: 6 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -802.593795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.593795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.593795 (E_RNA) where: Base-Base interactions energy: -415.429 where: short stacking energy: -213.009 Base-Backbone interact. energy: -1.201 local terms energy: -385.963629 where: bonds (distance) C4'-P energy: -116.675 bonds (distance) P-C4' energy: -112.581 flat angles C4'-P-C4' energy: -97.315 flat angles P-C4'-P energy: -63.919 tors. eta vs tors. theta energy: 4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2689.207738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.207738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.207738 (E_RNA) where: Base-Base interactions energy: -1933.400 where: short stacking energy: -774.980 Base-Backbone interact. energy: -2.116 local terms energy: -753.692125 where: bonds (distance) C4'-P energy: -132.923 bonds (distance) P-C4' energy: -147.854 flat angles C4'-P-C4' energy: -151.074 flat angles P-C4'-P energy: -104.825 tors. eta vs tors. theta energy: -217.017 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: 268 Temperature: 0.950000 Total energy: -2562.000645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.000645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.000645 (E_RNA) where: Base-Base interactions energy: -1846.065 where: short stacking energy: -749.141 Base-Backbone interact. energy: -1.095 local terms energy: -714.840692 where: bonds (distance) C4'-P energy: -122.105 bonds (distance) P-C4' energy: -112.921 flat angles C4'-P-C4' energy: -155.420 flat angles P-C4'-P energy: -97.043 tors. eta vs tors. theta energy: -227.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2529.095280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.095280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.095280 (E_RNA) where: Base-Base interactions energy: -1790.070 where: short stacking energy: -722.476 Base-Backbone interact. energy: -0.577 local terms energy: -738.448985 where: bonds (distance) C4'-P energy: -121.434 bonds (distance) P-C4' energy: -132.341 flat angles C4'-P-C4' energy: -155.206 flat angles P-C4'-P energy: -105.852 tors. eta vs tors. theta energy: -223.615 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: 268 Temperature: 1.050000 Total energy: -2459.320567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.320567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.320567 (E_RNA) where: Base-Base interactions energy: -1767.614 where: short stacking energy: -701.650 Base-Backbone interact. energy: 1.190 local terms energy: -692.896607 where: bonds (distance) C4'-P energy: -110.626 bonds (distance) P-C4' energy: -120.892 flat angles C4'-P-C4' energy: -148.753 flat angles P-C4'-P energy: -96.269 tors. eta vs tors. theta energy: -216.357 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: 2 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2381.181959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.181959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.181959 (E_RNA) where: Base-Base interactions energy: -1700.602 where: short stacking energy: -696.792 Base-Backbone interact. energy: -3.316 local terms energy: -677.264105 where: bonds (distance) C4'-P energy: -113.762 bonds (distance) P-C4' energy: -131.205 flat angles C4'-P-C4' energy: -140.202 flat angles P-C4'-P energy: -88.602 tors. eta vs tors. theta energy: -203.493 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: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2232.090771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.090771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.090771 (E_RNA) where: Base-Base interactions energy: -1599.348 where: short stacking energy: -651.160 Base-Backbone interact. energy: -0.861 local terms energy: -631.881472 where: bonds (distance) C4'-P energy: -90.550 bonds (distance) P-C4' energy: -111.999 flat angles C4'-P-C4' energy: -138.680 flat angles P-C4'-P energy: -94.617 tors. eta vs tors. theta energy: -196.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -2132.336679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.336679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.336679 (E_RNA) where: Base-Base interactions energy: -1516.961 where: short stacking energy: -603.775 Base-Backbone interact. energy: 8.418 local terms energy: -623.793382 where: bonds (distance) C4'-P energy: -113.256 bonds (distance) P-C4' energy: -120.155 flat angles C4'-P-C4' energy: -131.821 flat angles P-C4'-P energy: -72.319 tors. eta vs tors. theta energy: -186.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1793.027960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.027960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.027960 (E_RNA) where: Base-Base interactions energy: -1235.588 where: short stacking energy: -487.646 Base-Backbone interact. energy: 5.795 local terms energy: -563.234297 where: bonds (distance) C4'-P energy: -97.389 bonds (distance) P-C4' energy: -120.119 flat angles C4'-P-C4' energy: -124.521 flat angles P-C4'-P energy: -84.183 tors. eta vs tors. theta energy: -137.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1487.796921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.796921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.796921 (E_RNA) where: Base-Base interactions energy: -984.345 where: short stacking energy: -442.719 Base-Backbone interact. energy: 3.789 local terms energy: -507.240945 where: bonds (distance) C4'-P energy: -102.523 bonds (distance) P-C4' energy: -107.893 flat angles C4'-P-C4' energy: -118.140 flat angles P-C4'-P energy: -71.525 tors. eta vs tors. theta energy: -107.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -908.673732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.673732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.673732 (E_RNA) where: Base-Base interactions energy: -525.742 where: short stacking energy: -259.274 Base-Backbone interact. energy: -2.872 local terms energy: -380.060146 where: bonds (distance) C4'-P energy: -97.445 bonds (distance) P-C4' energy: -122.424 flat angles C4'-P-C4' energy: -96.630 flat angles P-C4'-P energy: -55.642 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: 1, replica: 8 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2693.606833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.606833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.606833 (E_RNA) where: Base-Base interactions energy: -1910.948 where: short stacking energy: -771.249 Base-Backbone interact. energy: 0.115 local terms energy: -782.773530 where: bonds (distance) C4'-P energy: -140.866 bonds (distance) P-C4' energy: -132.783 flat angles C4'-P-C4' energy: -158.851 flat angles P-C4'-P energy: -117.500 tors. eta vs tors. theta energy: -232.773 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: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2566.960380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.960380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.960380 (E_RNA) where: Base-Base interactions energy: -1813.291 where: short stacking energy: -758.193 Base-Backbone interact. energy: -1.989 local terms energy: -751.679781 where: bonds (distance) C4'-P energy: -124.020 bonds (distance) P-C4' energy: -127.209 flat angles C4'-P-C4' energy: -155.545 flat angles P-C4'-P energy: -109.856 tors. eta vs tors. theta energy: -235.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2518.444003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.444003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.444003 (E_RNA) where: Base-Base interactions energy: -1789.247 where: short stacking energy: -720.939 Base-Backbone interact. energy: -2.947 local terms energy: -726.249714 where: bonds (distance) C4'-P energy: -119.177 bonds (distance) P-C4' energy: -126.500 flat angles C4'-P-C4' energy: -148.988 flat angles P-C4'-P energy: -117.723 tors. eta vs tors. theta energy: -213.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2478.816116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.816116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.816116 (E_RNA) where: Base-Base interactions energy: -1762.410 where: short stacking energy: -722.845 Base-Backbone interact. energy: -0.566 local terms energy: -715.840482 where: bonds (distance) C4'-P energy: -129.667 bonds (distance) P-C4' energy: -120.716 flat angles C4'-P-C4' energy: -156.842 flat angles P-C4'-P energy: -87.621 tors. eta vs tors. theta energy: -220.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2329.621821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.621821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.621821 (E_RNA) where: Base-Base interactions energy: -1633.742 where: short stacking energy: -682.451 Base-Backbone interact. energy: -0.143 local terms energy: -695.737063 where: bonds (distance) C4'-P energy: -116.883 bonds (distance) P-C4' energy: -124.640 flat angles C4'-P-C4' energy: -149.614 flat angles P-C4'-P energy: -99.206 tors. eta vs tors. theta energy: -205.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2260.223037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.223037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.223037 (E_RNA) where: Base-Base interactions energy: -1595.715 where: short stacking energy: -645.213 Base-Backbone interact. energy: 0.757 local terms energy: -665.265433 where: bonds (distance) C4'-P energy: -119.285 bonds (distance) P-C4' energy: -119.895 flat angles C4'-P-C4' energy: -140.529 flat angles P-C4'-P energy: -94.780 tors. eta vs tors. theta energy: -190.776 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: 5 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2106.579783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.579783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.579783 (E_RNA) where: Base-Base interactions energy: -1476.741 where: short stacking energy: -593.469 Base-Backbone interact. energy: 0.464 local terms energy: -630.303022 where: bonds (distance) C4'-P energy: -101.564 bonds (distance) P-C4' energy: -115.565 flat angles C4'-P-C4' energy: -133.395 flat angles P-C4'-P energy: -99.959 tors. eta vs tors. theta energy: -179.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1869.051762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.051762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.051762 (E_RNA) where: Base-Base interactions energy: -1340.159 where: short stacking energy: -562.249 Base-Backbone interact. energy: 1.083 local terms energy: -529.975425 where: bonds (distance) C4'-P energy: -95.692 bonds (distance) P-C4' energy: -86.266 flat angles C4'-P-C4' energy: -120.034 flat angles P-C4'-P energy: -78.346 tors. eta vs tors. theta energy: -149.638 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: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1458.976808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.976808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.976808 (E_RNA) where: Base-Base interactions energy: -984.516 where: short stacking energy: -441.268 Base-Backbone interact. energy: -0.466 local terms energy: -473.995632 where: bonds (distance) C4'-P energy: -93.178 bonds (distance) P-C4' energy: -113.800 flat angles C4'-P-C4' energy: -105.137 flat angles P-C4'-P energy: -63.628 tors. eta vs tors. theta energy: -98.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -896.572639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.572639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.572639 (E_RNA) where: Base-Base interactions energy: -542.570 where: short stacking energy: -255.052 Base-Backbone interact. energy: 4.038 local terms energy: -358.040553 where: bonds (distance) C4'-P energy: -88.255 bonds (distance) P-C4' energy: -108.529 flat angles C4'-P-C4' energy: -100.756 flat angles P-C4'-P energy: -50.190 tors. eta vs tors. theta energy: -10.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2703.251697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.251697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.251697 (E_RNA) where: Base-Base interactions energy: -1939.627 where: short stacking energy: -761.343 Base-Backbone interact. energy: -1.264 local terms energy: -762.359986 where: bonds (distance) C4'-P energy: -128.048 bonds (distance) P-C4' energy: -134.298 flat angles C4'-P-C4' energy: -162.178 flat angles P-C4'-P energy: -105.672 tors. eta vs tors. theta energy: -232.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2567.706981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.706981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.706981 (E_RNA) where: Base-Base interactions energy: -1822.844 where: short stacking energy: -750.934 Base-Backbone interact. energy: 0.027 local terms energy: -744.889244 where: bonds (distance) C4'-P energy: -130.830 bonds (distance) P-C4' energy: -125.824 flat angles C4'-P-C4' energy: -151.872 flat angles P-C4'-P energy: -104.930 tors. eta vs tors. theta energy: -231.434 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: 3, replica: 10 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2532.037450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.037450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.037450 (E_RNA) where: Base-Base interactions energy: -1817.021 where: short stacking energy: -732.520 Base-Backbone interact. energy: -1.129 local terms energy: -713.886861 where: bonds (distance) C4'-P energy: -120.067 bonds (distance) P-C4' energy: -121.706 flat angles C4'-P-C4' energy: -146.660 flat angles P-C4'-P energy: -99.558 tors. eta vs tors. theta energy: -225.897 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: 9 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2447.567949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.567949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.567949 (E_RNA) where: Base-Base interactions energy: -1718.745 where: short stacking energy: -714.701 Base-Backbone interact. energy: 1.506 local terms energy: -730.328746 where: bonds (distance) C4'-P energy: -121.670 bonds (distance) P-C4' energy: -132.694 flat angles C4'-P-C4' energy: -151.529 flat angles P-C4'-P energy: -101.761 tors. eta vs tors. theta energy: -222.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2377.545387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.545387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.545387 (E_RNA) where: Base-Base interactions energy: -1713.815 where: short stacking energy: -683.573 Base-Backbone interact. energy: 0.408 local terms energy: -664.137898 where: bonds (distance) C4'-P energy: -116.890 bonds (distance) P-C4' energy: -125.243 flat angles C4'-P-C4' energy: -136.280 flat angles P-C4'-P energy: -88.673 tors. eta vs tors. theta energy: -197.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2229.658615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.658615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.658615 (E_RNA) where: Base-Base interactions energy: -1582.674 where: short stacking energy: -658.399 Base-Backbone interact. energy: -1.233 local terms energy: -645.751367 where: bonds (distance) C4'-P energy: -110.537 bonds (distance) P-C4' energy: -114.754 flat angles C4'-P-C4' energy: -137.069 flat angles P-C4'-P energy: -90.630 tors. eta vs tors. theta energy: -192.761 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: 7, replica: 5 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -2094.223578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.223578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.223578 (E_RNA) where: Base-Base interactions energy: -1493.303 where: short stacking energy: -595.855 Base-Backbone interact. energy: -1.203 local terms energy: -599.717163 where: bonds (distance) C4'-P energy: -91.276 bonds (distance) P-C4' energy: -116.123 flat angles C4'-P-C4' energy: -131.229 flat angles P-C4'-P energy: -86.879 tors. eta vs tors. theta energy: -174.210 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: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1842.962287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.962287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.962287 (E_RNA) where: Base-Base interactions energy: -1261.738 where: short stacking energy: -521.382 Base-Backbone interact. energy: 0.894 local terms energy: -582.118960 where: bonds (distance) C4'-P energy: -118.443 bonds (distance) P-C4' energy: -113.227 flat angles C4'-P-C4' energy: -128.431 flat angles P-C4'-P energy: -75.144 tors. eta vs tors. theta energy: -146.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1432.499240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.499240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.499240 (E_RNA) where: Base-Base interactions energy: -957.309 where: short stacking energy: -400.257 Base-Backbone interact. energy: 7.310 local terms energy: -482.500202 where: bonds (distance) C4'-P energy: -102.931 bonds (distance) P-C4' energy: -91.447 flat angles C4'-P-C4' energy: -115.492 flat angles P-C4'-P energy: -69.522 tors. eta vs tors. theta energy: -103.108 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: 6 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -925.060209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.060209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.060209 (E_RNA) where: Base-Base interactions energy: -535.899 where: short stacking energy: -256.977 Base-Backbone interact. energy: 4.635 local terms energy: -393.797027 where: bonds (distance) C4'-P energy: -109.249 bonds (distance) P-C4' energy: -90.573 flat angles C4'-P-C4' energy: -104.434 flat angles P-C4'-P energy: -71.143 tors. eta vs tors. theta energy: -18.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2680.246802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.246802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.246802 (E_RNA) where: Base-Base interactions energy: -1919.375 where: short stacking energy: -760.212 Base-Backbone interact. energy: -0.353 local terms energy: -760.519036 where: bonds (distance) C4'-P energy: -136.073 bonds (distance) P-C4' energy: -141.192 flat angles C4'-P-C4' energy: -150.140 flat angles P-C4'-P energy: -103.073 tors. eta vs tors. theta energy: -230.040 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: 271 Temperature: 0.950000 Total energy: -2576.897984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.897984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.897984 (E_RNA) where: Base-Base interactions energy: -1802.329 where: short stacking energy: -739.400 Base-Backbone interact. energy: -0.178 local terms energy: -774.390918 where: bonds (distance) C4'-P energy: -121.434 bonds (distance) P-C4' energy: -127.190 flat angles C4'-P-C4' energy: -161.621 flat angles P-C4'-P energy: -124.785 tors. eta vs tors. theta energy: -239.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2489.979667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.979667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.979667 (E_RNA) where: Base-Base interactions energy: -1769.173 where: short stacking energy: -703.589 Base-Backbone interact. energy: -1.931 local terms energy: -718.876315 where: bonds (distance) C4'-P energy: -118.444 bonds (distance) P-C4' energy: -134.697 flat angles C4'-P-C4' energy: -155.030 flat angles P-C4'-P energy: -100.502 tors. eta vs tors. theta energy: -210.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2457.652354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.652354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.652354 (E_RNA) where: Base-Base interactions energy: -1736.997 where: short stacking energy: -717.720 Base-Backbone interact. energy: -1.456 local terms energy: -719.199125 where: bonds (distance) C4'-P energy: -115.242 bonds (distance) P-C4' energy: -129.427 flat angles C4'-P-C4' energy: -149.674 flat angles P-C4'-P energy: -103.813 tors. eta vs tors. theta energy: -221.044 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: 5, replica: 2 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2381.922588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.922588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.922588 (E_RNA) where: Base-Base interactions energy: -1698.647 where: short stacking energy: -681.207 Base-Backbone interact. energy: -2.861 local terms energy: -680.414306 where: bonds (distance) C4'-P energy: -103.520 bonds (distance) P-C4' energy: -132.553 flat angles C4'-P-C4' energy: -138.920 flat angles P-C4'-P energy: -110.377 tors. eta vs tors. theta energy: -195.045 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: 6, replica: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2241.090645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.090645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.090645 (E_RNA) where: Base-Base interactions energy: -1587.968 where: short stacking energy: -653.183 Base-Backbone interact. energy: -1.428 local terms energy: -651.694942 where: bonds (distance) C4'-P energy: -104.022 bonds (distance) P-C4' energy: -116.811 flat angles C4'-P-C4' energy: -142.896 flat angles P-C4'-P energy: -99.256 tors. eta vs tors. theta energy: -188.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -2115.038027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.038027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.038027 (E_RNA) where: Base-Base interactions energy: -1494.685 where: short stacking energy: -612.122 Base-Backbone interact. energy: 4.736 local terms energy: -625.088800 where: bonds (distance) C4'-P energy: -110.786 bonds (distance) P-C4' energy: -102.957 flat angles C4'-P-C4' energy: -123.701 flat angles P-C4'-P energy: -95.400 tors. eta vs tors. theta energy: -192.244 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: 271 Temperature: 1.250000 Total energy: -1928.155239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.155239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.155239 (E_RNA) where: Base-Base interactions energy: -1351.122 where: short stacking energy: -526.972 Base-Backbone interact. energy: -3.092 local terms energy: -573.941058 where: bonds (distance) C4'-P energy: -119.816 bonds (distance) P-C4' energy: -127.157 flat angles C4'-P-C4' energy: -113.717 flat angles P-C4'-P energy: -73.813 tors. eta vs tors. theta energy: -139.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1320.218834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.218834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.218834 (E_RNA) where: Base-Base interactions energy: -844.831 where: short stacking energy: -371.944 Base-Backbone interact. energy: 1.681 local terms energy: -477.068311 where: bonds (distance) C4'-P energy: -107.198 bonds (distance) P-C4' energy: -113.528 flat angles C4'-P-C4' energy: -99.887 flat angles P-C4'-P energy: -76.422 tors. eta vs tors. theta energy: -80.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -861.768584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.768584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.768584 (E_RNA) where: Base-Base interactions energy: -454.566 where: short stacking energy: -224.904 Base-Backbone interact. energy: -2.455 local terms energy: -404.747593 where: bonds (distance) C4'-P energy: -113.352 bonds (distance) P-C4' energy: -116.150 flat angles C4'-P-C4' energy: -97.545 flat angles P-C4'-P energy: -54.286 tors. eta vs tors. theta energy: -23.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2709.872115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.872115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.872115 (E_RNA) where: Base-Base interactions energy: -1953.155 where: short stacking energy: -764.854 Base-Backbone interact. energy: 1.515 local terms energy: -758.232671 where: bonds (distance) C4'-P energy: -143.547 bonds (distance) P-C4' energy: -127.605 flat angles C4'-P-C4' energy: -157.876 flat angles P-C4'-P energy: -105.184 tors. eta vs tors. theta energy: -224.021 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: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2542.410892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.410892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.410892 (E_RNA) where: Base-Base interactions energy: -1800.824 where: short stacking energy: -735.844 Base-Backbone interact. energy: -2.569 local terms energy: -739.018081 where: bonds (distance) C4'-P energy: -119.072 bonds (distance) P-C4' energy: -136.428 flat angles C4'-P-C4' energy: -153.142 flat angles P-C4'-P energy: -107.786 tors. eta vs tors. theta energy: -222.591 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: 3, replica: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2556.144568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.144568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.144568 (E_RNA) where: Base-Base interactions energy: -1816.811 where: short stacking energy: -746.826 Base-Backbone interact. energy: -1.275 local terms energy: -738.058490 where: bonds (distance) C4'-P energy: -136.254 bonds (distance) P-C4' energy: -111.730 flat angles C4'-P-C4' energy: -158.047 flat angles P-C4'-P energy: -98.204 tors. eta vs tors. theta energy: -233.823 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: 9 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2399.198939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.198939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.198939 (E_RNA) where: Base-Base interactions energy: -1689.219 where: short stacking energy: -686.333 Base-Backbone interact. energy: -1.169 local terms energy: -708.811338 where: bonds (distance) C4'-P energy: -133.879 bonds (distance) P-C4' energy: -126.997 flat angles C4'-P-C4' energy: -145.661 flat angles P-C4'-P energy: -94.030 tors. eta vs tors. theta energy: -208.244 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: 5, replica: 2 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2339.435533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.435533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.435533 (E_RNA) where: Base-Base interactions energy: -1684.012 where: short stacking energy: -690.365 Base-Backbone interact. energy: -2.704 local terms energy: -652.719547 where: bonds (distance) C4'-P energy: -102.782 bonds (distance) P-C4' energy: -115.446 flat angles C4'-P-C4' energy: -145.987 flat angles P-C4'-P energy: -89.353 tors. eta vs tors. theta energy: -199.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2259.454840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.454840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.454840 (E_RNA) where: Base-Base interactions energy: -1593.194 where: short stacking energy: -643.980 Base-Backbone interact. energy: -2.759 local terms energy: -663.501852 where: bonds (distance) C4'-P energy: -100.079 bonds (distance) P-C4' energy: -127.600 flat angles C4'-P-C4' energy: -153.730 flat angles P-C4'-P energy: -85.586 tors. eta vs tors. theta energy: -196.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -2045.090094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.090094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.090094 (E_RNA) where: Base-Base interactions energy: -1454.830 where: short stacking energy: -604.334 Base-Backbone interact. energy: 2.876 local terms energy: -593.136047 where: bonds (distance) C4'-P energy: -95.311 bonds (distance) P-C4' energy: -107.972 flat angles C4'-P-C4' energy: -130.043 flat angles P-C4'-P energy: -84.517 tors. eta vs tors. theta energy: -175.293 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: 272 Temperature: 1.250000 Total energy: -1855.392709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.392709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.392709 (E_RNA) where: Base-Base interactions energy: -1288.397 where: short stacking energy: -531.983 Base-Backbone interact. energy: 0.790 local terms energy: -567.785576 where: bonds (distance) C4'-P energy: -116.844 bonds (distance) P-C4' energy: -95.711 flat angles C4'-P-C4' energy: -126.722 flat angles P-C4'-P energy: -87.595 tors. eta vs tors. theta energy: -140.913 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: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1311.057826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.057826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.057826 (E_RNA) where: Base-Base interactions energy: -814.877 where: short stacking energy: -378.556 Base-Backbone interact. energy: 2.632 local terms energy: -498.813006 where: bonds (distance) C4'-P energy: -112.304 bonds (distance) P-C4' energy: -114.938 flat angles C4'-P-C4' energy: -114.468 flat angles P-C4'-P energy: -64.970 tors. eta vs tors. theta energy: -92.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -790.090727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.090727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.090727 (E_RNA) where: Base-Base interactions energy: -421.058 where: short stacking energy: -221.380 Base-Backbone interact. energy: 2.095 local terms energy: -371.127572 where: bonds (distance) C4'-P energy: -101.999 bonds (distance) P-C4' energy: -101.521 flat angles C4'-P-C4' energy: -108.443 flat angles P-C4'-P energy: -52.548 tors. eta vs tors. theta energy: -6.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2696.322094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.322094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.322094 (E_RNA) where: Base-Base interactions energy: -1923.109 where: short stacking energy: -767.852 Base-Backbone interact. energy: -3.931 local terms energy: -769.281850 where: bonds (distance) C4'-P energy: -140.065 bonds (distance) P-C4' energy: -133.620 flat angles C4'-P-C4' energy: -156.775 flat angles P-C4'-P energy: -105.264 tors. eta vs tors. theta energy: -233.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2528.015294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.015294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.015294 (E_RNA) where: Base-Base interactions energy: -1789.012 where: short stacking energy: -743.971 Base-Backbone interact. energy: -1.415 local terms energy: -737.587710 where: bonds (distance) C4'-P energy: -130.421 bonds (distance) P-C4' energy: -136.833 flat angles C4'-P-C4' energy: -145.393 flat angles P-C4'-P energy: -100.326 tors. eta vs tors. theta energy: -224.616 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: 3, replica: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2518.280327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.280327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.280327 (E_RNA) where: Base-Base interactions energy: -1763.752 where: short stacking energy: -732.628 Base-Backbone interact. energy: 0.820 local terms energy: -755.348430 where: bonds (distance) C4'-P energy: -135.720 bonds (distance) P-C4' energy: -143.100 flat angles C4'-P-C4' energy: -154.417 flat angles P-C4'-P energy: -100.316 tors. eta vs tors. theta energy: -221.796 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: 9 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2425.636605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.636605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.636605 (E_RNA) where: Base-Base interactions energy: -1727.623 where: short stacking energy: -700.551 Base-Backbone interact. energy: -0.925 local terms energy: -697.088900 where: bonds (distance) C4'-P energy: -116.284 bonds (distance) P-C4' energy: -120.549 flat angles C4'-P-C4' energy: -141.649 flat angles P-C4'-P energy: -98.932 tors. eta vs tors. theta energy: -219.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2339.053473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.053473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.053473 (E_RNA) where: Base-Base interactions energy: -1667.879 where: short stacking energy: -689.537 Base-Backbone interact. energy: -2.946 local terms energy: -668.227673 where: bonds (distance) C4'-P energy: -114.880 bonds (distance) P-C4' energy: -119.211 flat angles C4'-P-C4' energy: -139.094 flat angles P-C4'-P energy: -93.044 tors. eta vs tors. theta energy: -201.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2261.187115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.187115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.187115 (E_RNA) where: Base-Base interactions energy: -1595.567 where: short stacking energy: -645.718 Base-Backbone interact. energy: -1.863 local terms energy: -663.756917 where: bonds (distance) C4'-P energy: -107.936 bonds (distance) P-C4' energy: -119.872 flat angles C4'-P-C4' energy: -147.443 flat angles P-C4'-P energy: -98.289 tors. eta vs tors. theta energy: -190.217 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: 5 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2032.126720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.126720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.126720 (E_RNA) where: Base-Base interactions energy: -1425.676 where: short stacking energy: -557.718 Base-Backbone interact. energy: -4.222 local terms energy: -602.228851 where: bonds (distance) C4'-P energy: -115.579 bonds (distance) P-C4' energy: -122.981 flat angles C4'-P-C4' energy: -136.703 flat angles P-C4'-P energy: -64.562 tors. eta vs tors. theta energy: -162.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1820.138260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.138260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.138260 (E_RNA) where: Base-Base interactions energy: -1261.431 where: short stacking energy: -520.257 Base-Backbone interact. energy: -1.651 local terms energy: -557.056485 where: bonds (distance) C4'-P energy: -117.749 bonds (distance) P-C4' energy: -107.161 flat angles C4'-P-C4' energy: -110.326 flat angles P-C4'-P energy: -91.430 tors. eta vs tors. theta energy: -130.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1293.125106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.125106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.125106 (E_RNA) where: Base-Base interactions energy: -845.729 where: short stacking energy: -372.493 Base-Backbone interact. energy: 10.874 local terms energy: -458.270718 where: bonds (distance) C4'-P energy: -119.084 bonds (distance) P-C4' energy: -109.162 flat angles C4'-P-C4' energy: -117.045 flat angles P-C4'-P energy: -43.780 tors. eta vs tors. theta energy: -69.199 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: 6 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -821.572389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.572389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.572389 (E_RNA) where: Base-Base interactions energy: -440.659 where: short stacking energy: -253.345 Base-Backbone interact. energy: -0.146 local terms energy: -380.766919 where: bonds (distance) C4'-P energy: -102.909 bonds (distance) P-C4' energy: -111.871 flat angles C4'-P-C4' energy: -102.764 flat angles P-C4'-P energy: -49.957 tors. eta vs tors. theta energy: -13.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2699.267959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.267959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.267959 (E_RNA) where: Base-Base interactions energy: -1933.443 where: short stacking energy: -772.422 Base-Backbone interact. energy: 0.590 local terms energy: -766.414899 where: bonds (distance) C4'-P energy: -121.129 bonds (distance) P-C4' energy: -135.702 flat angles C4'-P-C4' energy: -160.881 flat angles P-C4'-P energy: -112.556 tors. eta vs tors. theta energy: -236.147 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: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2531.823827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.823827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.823827 (E_RNA) where: Base-Base interactions energy: -1785.474 where: short stacking energy: -750.641 Base-Backbone interact. energy: -2.019 local terms energy: -744.331129 where: bonds (distance) C4'-P energy: -133.927 bonds (distance) P-C4' energy: -118.401 flat angles C4'-P-C4' energy: -154.536 flat angles P-C4'-P energy: -113.043 tors. eta vs tors. theta energy: -224.424 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: 274 Temperature: 1.000000 Total energy: -2546.829171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.829171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.829171 (E_RNA) where: Base-Base interactions energy: -1818.774 where: short stacking energy: -733.277 Base-Backbone interact. energy: -2.007 local terms energy: -726.049029 where: bonds (distance) C4'-P energy: -123.121 bonds (distance) P-C4' energy: -125.066 flat angles C4'-P-C4' energy: -159.187 flat angles P-C4'-P energy: -94.499 tors. eta vs tors. theta energy: -224.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2417.049899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.049899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.049899 (E_RNA) where: Base-Base interactions energy: -1723.926 where: short stacking energy: -703.873 Base-Backbone interact. energy: 2.376 local terms energy: -695.500465 where: bonds (distance) C4'-P energy: -129.936 bonds (distance) P-C4' energy: -128.783 flat angles C4'-P-C4' energy: -135.887 flat angles P-C4'-P energy: -82.851 tors. eta vs tors. theta energy: -218.044 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: 5, replica: 2 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2422.039496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.039496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.039496 (E_RNA) where: Base-Base interactions energy: -1726.967 where: short stacking energy: -734.216 Base-Backbone interact. energy: 1.614 local terms energy: -696.685849 where: bonds (distance) C4'-P energy: -112.296 bonds (distance) P-C4' energy: -117.904 flat angles C4'-P-C4' energy: -147.062 flat angles P-C4'-P energy: -104.218 tors. eta vs tors. theta energy: -215.206 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: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2209.202998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.202998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.202998 (E_RNA) where: Base-Base interactions energy: -1557.604 where: short stacking energy: -612.940 Base-Backbone interact. energy: -0.738 local terms energy: -650.860713 where: bonds (distance) C4'-P energy: -104.002 bonds (distance) P-C4' energy: -108.339 flat angles C4'-P-C4' energy: -144.642 flat angles P-C4'-P energy: -100.665 tors. eta vs tors. theta energy: -193.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -2019.525916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.525916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.525916 (E_RNA) where: Base-Base interactions energy: -1418.678 where: short stacking energy: -575.292 Base-Backbone interact. energy: -3.705 local terms energy: -597.143400 where: bonds (distance) C4'-P energy: -106.846 bonds (distance) P-C4' energy: -117.307 flat angles C4'-P-C4' energy: -137.614 flat angles P-C4'-P energy: -70.879 tors. eta vs tors. theta energy: -164.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1858.947665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.947665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.947665 (E_RNA) where: Base-Base interactions energy: -1310.084 where: short stacking energy: -561.613 Base-Backbone interact. energy: 2.653 local terms energy: -551.516600 where: bonds (distance) C4'-P energy: -99.652 bonds (distance) P-C4' energy: -113.741 flat angles C4'-P-C4' energy: -118.390 flat angles P-C4'-P energy: -78.889 tors. eta vs tors. theta energy: -140.844 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: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1337.348749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.348749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.348749 (E_RNA) where: Base-Base interactions energy: -851.336 where: short stacking energy: -384.449 Base-Backbone interact. energy: -1.775 local terms energy: -484.237888 where: bonds (distance) C4'-P energy: -125.448 bonds (distance) P-C4' energy: -110.372 flat angles C4'-P-C4' energy: -108.176 flat angles P-C4'-P energy: -73.268 tors. eta vs tors. theta energy: -66.974 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: 6 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -793.578887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.578887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.578887 (E_RNA) where: Base-Base interactions energy: -432.545 where: short stacking energy: -231.778 Base-Backbone interact. energy: 1.354 local terms energy: -362.387741 where: bonds (distance) C4'-P energy: -105.549 bonds (distance) P-C4' energy: -109.183 flat angles C4'-P-C4' energy: -98.154 flat angles P-C4'-P energy: -48.509 tors. eta vs tors. theta energy: -0.992 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: 8 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2692.133493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.133493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.133493 (E_RNA) where: Base-Base interactions energy: -1920.597 where: short stacking energy: -753.490 Base-Backbone interact. energy: -1.629 local terms energy: -769.907730 where: bonds (distance) C4'-P energy: -128.678 bonds (distance) P-C4' energy: -138.520 flat angles C4'-P-C4' energy: -157.001 flat angles P-C4'-P energy: -108.467 tors. eta vs tors. theta energy: -237.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2567.869050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.869050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.869050 (E_RNA) where: Base-Base interactions energy: -1815.167 where: short stacking energy: -733.289 Base-Backbone interact. energy: -0.204 local terms energy: -752.497780 where: bonds (distance) C4'-P energy: -136.490 bonds (distance) P-C4' energy: -129.614 flat angles C4'-P-C4' energy: -156.586 flat angles P-C4'-P energy: -111.659 tors. eta vs tors. theta energy: -218.149 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: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2504.446138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.446138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.446138 (E_RNA) where: Base-Base interactions energy: -1760.377 where: short stacking energy: -737.638 Base-Backbone interact. energy: -0.985 local terms energy: -743.084665 where: bonds (distance) C4'-P energy: -121.441 bonds (distance) P-C4' energy: -134.132 flat angles C4'-P-C4' energy: -146.853 flat angles P-C4'-P energy: -114.303 tors. eta vs tors. theta energy: -226.356 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: 275 Temperature: 1.050000 Total energy: -2446.160807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.160807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.160807 (E_RNA) where: Base-Base interactions energy: -1732.976 where: short stacking energy: -711.547 Base-Backbone interact. energy: -2.777 local terms energy: -710.407295 where: bonds (distance) C4'-P energy: -124.481 bonds (distance) P-C4' energy: -123.320 flat angles C4'-P-C4' energy: -151.539 flat angles P-C4'-P energy: -94.673 tors. eta vs tors. theta energy: -216.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2404.892365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.892365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.892365 (E_RNA) where: Base-Base interactions energy: -1700.637 where: short stacking energy: -703.876 Base-Backbone interact. energy: -1.242 local terms energy: -703.014105 where: bonds (distance) C4'-P energy: -119.483 bonds (distance) P-C4' energy: -118.765 flat angles C4'-P-C4' energy: -149.789 flat angles P-C4'-P energy: -99.576 tors. eta vs tors. theta energy: -215.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2268.807190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.807190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.807190 (E_RNA) where: Base-Base interactions energy: -1609.811 where: short stacking energy: -651.643 Base-Backbone interact. energy: -2.174 local terms energy: -656.822071 where: bonds (distance) C4'-P energy: -103.748 bonds (distance) P-C4' energy: -123.269 flat angles C4'-P-C4' energy: -152.541 flat angles P-C4'-P energy: -77.337 tors. eta vs tors. theta energy: -199.926 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: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1985.257269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.257269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.257269 (E_RNA) where: Base-Base interactions energy: -1402.353 where: short stacking energy: -565.244 Base-Backbone interact. energy: 1.252 local terms energy: -584.156365 where: bonds (distance) C4'-P energy: -112.334 bonds (distance) P-C4' energy: -105.704 flat angles C4'-P-C4' energy: -128.599 flat angles P-C4'-P energy: -87.398 tors. eta vs tors. theta energy: -150.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1867.424600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.424600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.424600 (E_RNA) where: Base-Base interactions energy: -1313.954 where: short stacking energy: -530.322 Base-Backbone interact. energy: -1.563 local terms energy: -551.908351 where: bonds (distance) C4'-P energy: -92.344 bonds (distance) P-C4' energy: -115.792 flat angles C4'-P-C4' energy: -124.267 flat angles P-C4'-P energy: -68.606 tors. eta vs tors. theta energy: -150.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1328.870844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.870844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.870844 (E_RNA) where: Base-Base interactions energy: -842.770 where: short stacking energy: -409.858 Base-Backbone interact. energy: -2.892 local terms energy: -483.209422 where: bonds (distance) C4'-P energy: -114.100 bonds (distance) P-C4' energy: -107.600 flat angles C4'-P-C4' energy: -112.319 flat angles P-C4'-P energy: -64.441 tors. eta vs tors. theta energy: -84.750 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: 6 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -826.092072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.092072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.092072 (E_RNA) where: Base-Base interactions energy: -466.308 where: short stacking energy: -242.104 Base-Backbone interact. energy: 5.032 local terms energy: -364.816087 where: bonds (distance) C4'-P energy: -95.600 bonds (distance) P-C4' energy: -95.761 flat angles C4'-P-C4' energy: -92.912 flat angles P-C4'-P energy: -57.816 tors. eta vs tors. theta energy: -22.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2675.753500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.753500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.753500 (E_RNA) where: Base-Base interactions energy: -1930.960 where: short stacking energy: -760.034 Base-Backbone interact. energy: -1.753 local terms energy: -743.040804 where: bonds (distance) C4'-P energy: -124.057 bonds (distance) P-C4' energy: -135.716 flat angles C4'-P-C4' energy: -146.700 flat angles P-C4'-P energy: -105.337 tors. eta vs tors. theta energy: -231.231 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: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2599.825463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.825463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.825463 (E_RNA) where: Base-Base interactions energy: -1835.934 where: short stacking energy: -755.141 Base-Backbone interact. energy: -2.430 local terms energy: -761.461324 where: bonds (distance) C4'-P energy: -131.593 bonds (distance) P-C4' energy: -135.725 flat angles C4'-P-C4' energy: -157.815 flat angles P-C4'-P energy: -105.955 tors. eta vs tors. theta energy: -230.374 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: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2481.650732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.650732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.650732 (E_RNA) where: Base-Base interactions energy: -1773.099 where: short stacking energy: -724.295 Base-Backbone interact. energy: -1.319 local terms energy: -707.232685 where: bonds (distance) C4'-P energy: -127.221 bonds (distance) P-C4' energy: -127.403 flat angles C4'-P-C4' energy: -147.893 flat angles P-C4'-P energy: -91.573 tors. eta vs tors. theta energy: -213.142 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: 1 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2464.642852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.642852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.642852 (E_RNA) where: Base-Base interactions energy: -1740.211 where: short stacking energy: -726.708 Base-Backbone interact. energy: 1.592 local terms energy: -726.022884 where: bonds (distance) C4'-P energy: -135.529 bonds (distance) P-C4' energy: -111.757 flat angles C4'-P-C4' energy: -148.863 flat angles P-C4'-P energy: -96.029 tors. eta vs tors. theta energy: -233.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2363.748370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.748370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.748370 (E_RNA) where: Base-Base interactions energy: -1720.863 where: short stacking energy: -698.163 Base-Backbone interact. energy: -1.964 local terms energy: -640.921468 where: bonds (distance) C4'-P energy: -116.224 bonds (distance) P-C4' energy: -95.705 flat angles C4'-P-C4' energy: -120.905 flat angles P-C4'-P energy: -94.758 tors. eta vs tors. theta energy: -213.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2228.480090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.480090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.480090 (E_RNA) where: Base-Base interactions energy: -1591.668 where: short stacking energy: -640.982 Base-Backbone interact. energy: -1.011 local terms energy: -635.800762 where: bonds (distance) C4'-P energy: -104.921 bonds (distance) P-C4' energy: -102.942 flat angles C4'-P-C4' energy: -142.051 flat angles P-C4'-P energy: -90.071 tors. eta vs tors. theta energy: -195.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2079.572847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.572847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.572847 (E_RNA) where: Base-Base interactions energy: -1459.616 where: short stacking energy: -608.782 Base-Backbone interact. energy: -1.953 local terms energy: -618.003838 where: bonds (distance) C4'-P energy: -106.022 bonds (distance) P-C4' energy: -113.008 flat angles C4'-P-C4' energy: -131.781 flat angles P-C4'-P energy: -98.872 tors. eta vs tors. theta energy: -168.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1921.411349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.411349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.411349 (E_RNA) where: Base-Base interactions energy: -1341.541 where: short stacking energy: -527.070 Base-Backbone interact. energy: -2.622 local terms energy: -577.248967 where: bonds (distance) C4'-P energy: -113.057 bonds (distance) P-C4' energy: -98.382 flat angles C4'-P-C4' energy: -126.327 flat angles P-C4'-P energy: -78.728 tors. eta vs tors. theta energy: -160.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1324.391213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.391213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.391213 (E_RNA) where: Base-Base interactions energy: -854.579 where: short stacking energy: -381.222 Base-Backbone interact. energy: 1.236 local terms energy: -471.048481 where: bonds (distance) C4'-P energy: -96.380 bonds (distance) P-C4' energy: -115.104 flat angles C4'-P-C4' energy: -99.562 flat angles P-C4'-P energy: -68.418 tors. eta vs tors. theta energy: -91.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -806.257333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.257333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.257333 (E_RNA) where: Base-Base interactions energy: -422.045 where: short stacking energy: -202.644 Base-Backbone interact. energy: 1.114 local terms energy: -385.326670 where: bonds (distance) C4'-P energy: -114.909 bonds (distance) P-C4' energy: -119.907 flat angles C4'-P-C4' energy: -96.704 flat angles P-C4'-P energy: -55.311 tors. eta vs tors. theta energy: 1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2677.799953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.799953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.799953 (E_RNA) where: Base-Base interactions energy: -1921.441 where: short stacking energy: -784.763 Base-Backbone interact. energy: -3.362 local terms energy: -752.997293 where: bonds (distance) C4'-P energy: -124.420 bonds (distance) P-C4' energy: -130.414 flat angles C4'-P-C4' energy: -155.934 flat angles P-C4'-P energy: -112.407 tors. eta vs tors. theta energy: -229.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2578.720899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.720899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.720899 (E_RNA) where: Base-Base interactions energy: -1826.230 where: short stacking energy: -744.393 Base-Backbone interact. energy: 2.291 local terms energy: -754.782163 where: bonds (distance) C4'-P energy: -122.660 bonds (distance) P-C4' energy: -141.476 flat angles C4'-P-C4' energy: -148.442 flat angles P-C4'-P energy: -112.946 tors. eta vs tors. theta energy: -229.259 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: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2494.107387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.107387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.107387 (E_RNA) where: Base-Base interactions energy: -1793.335 where: short stacking energy: -710.994 Base-Backbone interact. energy: -1.351 local terms energy: -699.421335 where: bonds (distance) C4'-P energy: -110.286 bonds (distance) P-C4' energy: -136.591 flat angles C4'-P-C4' energy: -140.087 flat angles P-C4'-P energy: -98.843 tors. eta vs tors. theta energy: -213.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2452.228005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.228005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.228005 (E_RNA) where: Base-Base interactions energy: -1730.364 where: short stacking energy: -690.555 Base-Backbone interact. energy: -2.171 local terms energy: -719.693389 where: bonds (distance) C4'-P energy: -107.672 bonds (distance) P-C4' energy: -129.770 flat angles C4'-P-C4' energy: -154.767 flat angles P-C4'-P energy: -104.982 tors. eta vs tors. theta energy: -222.502 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: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2394.591059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.591059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.591059 (E_RNA) where: Base-Base interactions energy: -1734.011 where: short stacking energy: -712.993 Base-Backbone interact. energy: -1.659 local terms energy: -658.920641 where: bonds (distance) C4'-P energy: -104.765 bonds (distance) P-C4' energy: -107.254 flat angles C4'-P-C4' energy: -140.815 flat angles P-C4'-P energy: -101.014 tors. eta vs tors. theta energy: -205.072 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: 277 Temperature: 1.150000 Total energy: -2234.948434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.948434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.948434 (E_RNA) where: Base-Base interactions energy: -1587.784 where: short stacking energy: -629.417 Base-Backbone interact. energy: -1.341 local terms energy: -645.823441 where: bonds (distance) C4'-P energy: -103.543 bonds (distance) P-C4' energy: -132.193 flat angles C4'-P-C4' energy: -134.732 flat angles P-C4'-P energy: -88.295 tors. eta vs tors. theta energy: -187.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -2042.349767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.349767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.349767 (E_RNA) where: Base-Base interactions energy: -1455.486 where: short stacking energy: -600.512 Base-Backbone interact. energy: -1.729 local terms energy: -585.135199 where: bonds (distance) C4'-P energy: -86.861 bonds (distance) P-C4' energy: -111.568 flat angles C4'-P-C4' energy: -136.361 flat angles P-C4'-P energy: -85.255 tors. eta vs tors. theta energy: -165.089 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: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1788.704705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.704705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.704705 (E_RNA) where: Base-Base interactions energy: -1259.865 where: short stacking energy: -521.735 Base-Backbone interact. energy: 7.131 local terms energy: -535.970883 where: bonds (distance) C4'-P energy: -92.155 bonds (distance) P-C4' energy: -100.408 flat angles C4'-P-C4' energy: -124.807 flat angles P-C4'-P energy: -75.109 tors. eta vs tors. theta energy: -143.493 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: 9, replica: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1378.651666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.651666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.651666 (E_RNA) where: Base-Base interactions energy: -893.905 where: short stacking energy: -394.853 Base-Backbone interact. energy: -1.135 local terms energy: -483.611668 where: bonds (distance) C4'-P energy: -96.723 bonds (distance) P-C4' energy: -109.686 flat angles C4'-P-C4' energy: -124.651 flat angles P-C4'-P energy: -62.957 tors. eta vs tors. theta energy: -89.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -789.629349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.629349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.629349 (E_RNA) where: Base-Base interactions energy: -444.436 where: short stacking energy: -218.887 Base-Backbone interact. energy: 7.510 local terms energy: -352.704001 where: bonds (distance) C4'-P energy: -106.878 bonds (distance) P-C4' energy: -102.645 flat angles C4'-P-C4' energy: -93.249 flat angles P-C4'-P energy: -54.704 tors. eta vs tors. theta energy: 4.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2714.952024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.952024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.952024 (E_RNA) where: Base-Base interactions energy: -1935.660 where: short stacking energy: -763.491 Base-Backbone interact. energy: -5.262 local terms energy: -774.030889 where: bonds (distance) C4'-P energy: -131.341 bonds (distance) P-C4' energy: -140.221 flat angles C4'-P-C4' energy: -156.420 flat angles P-C4'-P energy: -113.782 tors. eta vs tors. theta energy: -232.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2585.619696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.619696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.619696 (E_RNA) where: Base-Base interactions energy: -1852.065 where: short stacking energy: -773.619 Base-Backbone interact. energy: -1.776 local terms energy: -731.779389 where: bonds (distance) C4'-P energy: -124.676 bonds (distance) P-C4' energy: -122.057 flat angles C4'-P-C4' energy: -148.039 flat angles P-C4'-P energy: -103.709 tors. eta vs tors. theta energy: -233.299 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: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2518.183093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.183093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.183093 (E_RNA) where: Base-Base interactions energy: -1786.505 where: short stacking energy: -723.106 Base-Backbone interact. energy: -1.822 local terms energy: -729.856105 where: bonds (distance) C4'-P energy: -131.777 bonds (distance) P-C4' energy: -122.423 flat angles C4'-P-C4' energy: -156.008 flat angles P-C4'-P energy: -94.835 tors. eta vs tors. theta energy: -224.813 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: 9 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2461.096277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.096277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.096277 (E_RNA) where: Base-Base interactions energy: -1728.248 where: short stacking energy: -703.844 Base-Backbone interact. energy: 2.248 local terms energy: -735.096299 where: bonds (distance) C4'-P energy: -133.176 bonds (distance) P-C4' energy: -133.651 flat angles C4'-P-C4' energy: -148.389 flat angles P-C4'-P energy: -99.179 tors. eta vs tors. theta energy: -220.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2396.695841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.695841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.695841 (E_RNA) where: Base-Base interactions energy: -1719.512 where: short stacking energy: -704.255 Base-Backbone interact. energy: 0.448 local terms energy: -677.632287 where: bonds (distance) C4'-P energy: -108.092 bonds (distance) P-C4' energy: -134.215 flat angles C4'-P-C4' energy: -141.753 flat angles P-C4'-P energy: -84.913 tors. eta vs tors. theta energy: -208.659 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: 278 Temperature: 1.150000 Total energy: -2226.629376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.629376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.629376 (E_RNA) where: Base-Base interactions energy: -1561.224 where: short stacking energy: -659.612 Base-Backbone interact. energy: -1.696 local terms energy: -663.709611 where: bonds (distance) C4'-P energy: -111.169 bonds (distance) P-C4' energy: -123.886 flat angles C4'-P-C4' energy: -140.752 flat angles P-C4'-P energy: -90.149 tors. eta vs tors. theta energy: -197.754 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: 7, replica: 5 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2030.905900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.905900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.905900 (E_RNA) where: Base-Base interactions energy: -1426.458 where: short stacking energy: -582.506 Base-Backbone interact. energy: -1.817 local terms energy: -602.630649 where: bonds (distance) C4'-P energy: -115.610 bonds (distance) P-C4' energy: -119.551 flat angles C4'-P-C4' energy: -122.136 flat angles P-C4'-P energy: -77.772 tors. eta vs tors. theta energy: -167.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1834.917073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.917073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.917073 (E_RNA) where: Base-Base interactions energy: -1265.435 where: short stacking energy: -539.700 Base-Backbone interact. energy: 0.266 local terms energy: -569.748582 where: bonds (distance) C4'-P energy: -100.946 bonds (distance) P-C4' energy: -112.498 flat angles C4'-P-C4' energy: -124.779 flat angles P-C4'-P energy: -87.331 tors. eta vs tors. theta energy: -144.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1314.027367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.027367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.027367 (E_RNA) where: Base-Base interactions energy: -854.081 where: short stacking energy: -409.194 Base-Backbone interact. energy: -0.276 local terms energy: -459.670305 where: bonds (distance) C4'-P energy: -95.976 bonds (distance) P-C4' energy: -111.254 flat angles C4'-P-C4' energy: -109.899 flat angles P-C4'-P energy: -62.732 tors. eta vs tors. theta energy: -79.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -812.348669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.348669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.348669 (E_RNA) where: Base-Base interactions energy: -456.580 where: short stacking energy: -252.610 Base-Backbone interact. energy: 2.659 local terms energy: -358.428412 where: bonds (distance) C4'-P energy: -95.127 bonds (distance) P-C4' energy: -106.170 flat angles C4'-P-C4' energy: -84.628 flat angles P-C4'-P energy: -59.475 tors. eta vs tors. theta energy: -13.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2702.439336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.439336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.439336 (E_RNA) where: Base-Base interactions energy: -1946.337 where: short stacking energy: -775.567 Base-Backbone interact. energy: -2.346 local terms energy: -753.756337 where: bonds (distance) C4'-P energy: -124.991 bonds (distance) P-C4' energy: -137.642 flat angles C4'-P-C4' energy: -158.502 flat angles P-C4'-P energy: -98.339 tors. eta vs tors. theta energy: -234.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2554.065349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.065349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.065349 (E_RNA) where: Base-Base interactions energy: -1798.923 where: short stacking energy: -767.334 Base-Backbone interact. energy: -4.359 local terms energy: -750.783565 where: bonds (distance) C4'-P energy: -130.666 bonds (distance) P-C4' energy: -127.748 flat angles C4'-P-C4' energy: -157.841 flat angles P-C4'-P energy: -97.345 tors. eta vs tors. theta energy: -237.184 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: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2533.397556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.397556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.397556 (E_RNA) where: Base-Base interactions energy: -1815.770 where: short stacking energy: -723.982 Base-Backbone interact. energy: -1.706 local terms energy: -715.921526 where: bonds (distance) C4'-P energy: -109.048 bonds (distance) P-C4' energy: -110.602 flat angles C4'-P-C4' energy: -159.995 flat angles P-C4'-P energy: -108.810 tors. eta vs tors. theta energy: -227.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2426.526924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.526924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.526924 (E_RNA) where: Base-Base interactions energy: -1751.599 where: short stacking energy: -709.672 Base-Backbone interact. energy: 0.014 local terms energy: -674.941519 where: bonds (distance) C4'-P energy: -112.736 bonds (distance) P-C4' energy: -115.285 flat angles C4'-P-C4' energy: -148.826 flat angles P-C4'-P energy: -93.522 tors. eta vs tors. theta energy: -204.572 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: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2377.542665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.542665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.542665 (E_RNA) where: Base-Base interactions energy: -1663.060 where: short stacking energy: -669.521 Base-Backbone interact. energy: 1.583 local terms energy: -716.065954 where: bonds (distance) C4'-P energy: -128.049 bonds (distance) P-C4' energy: -134.509 flat angles C4'-P-C4' energy: -146.690 flat angles P-C4'-P energy: -99.468 tors. eta vs tors. theta energy: -207.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2255.068174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.068174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.068174 (E_RNA) where: Base-Base interactions energy: -1584.545 where: short stacking energy: -645.606 Base-Backbone interact. energy: 0.282 local terms energy: -670.805440 where: bonds (distance) C4'-P energy: -122.701 bonds (distance) P-C4' energy: -121.343 flat angles C4'-P-C4' energy: -138.826 flat angles P-C4'-P energy: -93.736 tors. eta vs tors. theta energy: -194.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2074.679894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.679894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.679894 (E_RNA) where: Base-Base interactions energy: -1465.446 where: short stacking energy: -609.350 Base-Backbone interact. energy: 2.295 local terms energy: -611.527917 where: bonds (distance) C4'-P energy: -114.540 bonds (distance) P-C4' energy: -90.856 flat angles C4'-P-C4' energy: -139.483 flat angles P-C4'-P energy: -82.012 tors. eta vs tors. theta energy: -184.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1877.076155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.076155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.076155 (E_RNA) where: Base-Base interactions energy: -1294.433 where: short stacking energy: -548.017 Base-Backbone interact. energy: -0.750 local terms energy: -581.893176 where: bonds (distance) C4'-P energy: -104.558 bonds (distance) P-C4' energy: -113.497 flat angles C4'-P-C4' energy: -136.103 flat angles P-C4'-P energy: -81.667 tors. eta vs tors. theta energy: -146.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1307.610133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.610133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.610133 (E_RNA) where: Base-Base interactions energy: -832.382 where: short stacking energy: -366.575 Base-Backbone interact. energy: -3.589 local terms energy: -471.638584 where: bonds (distance) C4'-P energy: -127.685 bonds (distance) P-C4' energy: -100.539 flat angles C4'-P-C4' energy: -102.542 flat angles P-C4'-P energy: -65.722 tors. eta vs tors. theta energy: -75.150 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: 6 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -872.748233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.748233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.748233 (E_RNA) where: Base-Base interactions energy: -504.021 where: short stacking energy: -227.044 Base-Backbone interact. energy: -1.084 local terms energy: -367.643277 where: bonds (distance) C4'-P energy: -114.220 bonds (distance) P-C4' energy: -91.593 flat angles C4'-P-C4' energy: -107.811 flat angles P-C4'-P energy: -36.284 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: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2698.164427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.164427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.164427 (E_RNA) where: Base-Base interactions energy: -1932.080 where: short stacking energy: -777.189 Base-Backbone interact. energy: -2.161 local terms energy: -763.923766 where: bonds (distance) C4'-P energy: -131.979 bonds (distance) P-C4' energy: -140.543 flat angles C4'-P-C4' energy: -154.729 flat angles P-C4'-P energy: -104.616 tors. eta vs tors. theta energy: -232.057 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: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2550.337302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.337302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.337302 (E_RNA) where: Base-Base interactions energy: -1797.414 where: short stacking energy: -744.973 Base-Backbone interact. energy: -2.327 local terms energy: -750.596119 where: bonds (distance) C4'-P energy: -127.226 bonds (distance) P-C4' energy: -143.568 flat angles C4'-P-C4' energy: -149.277 flat angles P-C4'-P energy: -94.811 tors. eta vs tors. theta energy: -235.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2522.155232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.155232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.155232 (E_RNA) where: Base-Base interactions energy: -1807.592 where: short stacking energy: -725.143 Base-Backbone interact. energy: -1.954 local terms energy: -712.609971 where: bonds (distance) C4'-P energy: -118.972 bonds (distance) P-C4' energy: -121.680 flat angles C4'-P-C4' energy: -152.160 flat angles P-C4'-P energy: -94.729 tors. eta vs tors. theta energy: -225.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2422.135294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.135294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.135294 (E_RNA) where: Base-Base interactions energy: -1725.277 where: short stacking energy: -698.676 Base-Backbone interact. energy: -1.163 local terms energy: -695.695396 where: bonds (distance) C4'-P energy: -120.158 bonds (distance) P-C4' energy: -122.254 flat angles C4'-P-C4' energy: -148.022 flat angles P-C4'-P energy: -96.562 tors. eta vs tors. theta energy: -208.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2400.203926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.203926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.203926 (E_RNA) where: Base-Base interactions energy: -1730.834 where: short stacking energy: -662.803 Base-Backbone interact. energy: -1.893 local terms energy: -667.477228 where: bonds (distance) C4'-P energy: -110.029 bonds (distance) P-C4' energy: -123.649 flat angles C4'-P-C4' energy: -146.692 flat angles P-C4'-P energy: -90.280 tors. eta vs tors. theta energy: -196.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2237.464657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.464657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.464657 (E_RNA) where: Base-Base interactions energy: -1600.861 where: short stacking energy: -647.498 Base-Backbone interact. energy: 1.173 local terms energy: -637.776688 where: bonds (distance) C4'-P energy: -113.635 bonds (distance) P-C4' energy: -100.617 flat angles C4'-P-C4' energy: -138.254 flat angles P-C4'-P energy: -98.985 tors. eta vs tors. theta energy: -186.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2079.959502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.959502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.959502 (E_RNA) where: Base-Base interactions energy: -1460.097 where: short stacking energy: -592.112 Base-Backbone interact. energy: 1.666 local terms energy: -621.528899 where: bonds (distance) C4'-P energy: -118.216 bonds (distance) P-C4' energy: -105.864 flat angles C4'-P-C4' energy: -134.146 flat angles P-C4'-P energy: -74.247 tors. eta vs tors. theta energy: -189.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1820.465017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.465017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.465017 (E_RNA) where: Base-Base interactions energy: -1272.775 where: short stacking energy: -501.486 Base-Backbone interact. energy: 9.471 local terms energy: -557.161555 where: bonds (distance) C4'-P energy: -101.179 bonds (distance) P-C4' energy: -98.662 flat angles C4'-P-C4' energy: -133.268 flat angles P-C4'-P energy: -73.001 tors. eta vs tors. theta energy: -151.051 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: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1326.174744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.174744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.174744 (E_RNA) where: Base-Base interactions energy: -835.471 where: short stacking energy: -369.629 Base-Backbone interact. energy: -1.177 local terms energy: -489.526806 where: bonds (distance) C4'-P energy: -101.880 bonds (distance) P-C4' energy: -119.267 flat angles C4'-P-C4' energy: -109.007 flat angles P-C4'-P energy: -74.301 tors. eta vs tors. theta energy: -85.072 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: 6 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -1007.516085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.516085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.516085 (E_RNA) where: Base-Base interactions energy: -606.501 where: short stacking energy: -285.061 Base-Backbone interact. energy: -2.200 local terms energy: -398.815804 where: bonds (distance) C4'-P energy: -90.685 bonds (distance) P-C4' energy: -108.141 flat angles C4'-P-C4' energy: -90.999 flat angles P-C4'-P energy: -74.868 tors. eta vs tors. theta energy: -34.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2686.264927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.264927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.264927 (E_RNA) where: Base-Base interactions energy: -1925.450 where: short stacking energy: -761.725 Base-Backbone interact. energy: 0.585 local terms energy: -761.400202 where: bonds (distance) C4'-P energy: -142.250 bonds (distance) P-C4' energy: -128.326 flat angles C4'-P-C4' energy: -151.223 flat angles P-C4'-P energy: -108.945 tors. eta vs tors. theta energy: -230.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2569.003540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.003540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.003540 (E_RNA) where: Base-Base interactions energy: -1801.855 where: short stacking energy: -754.148 Base-Backbone interact. energy: -1.593 local terms energy: -765.555169 where: bonds (distance) C4'-P energy: -129.329 bonds (distance) P-C4' energy: -147.738 flat angles C4'-P-C4' energy: -149.098 flat angles P-C4'-P energy: -105.736 tors. eta vs tors. theta energy: -233.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2519.770816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.770816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.770816 (E_RNA) where: Base-Base interactions energy: -1797.237 where: short stacking energy: -726.419 Base-Backbone interact. energy: -2.581 local terms energy: -719.952664 where: bonds (distance) C4'-P energy: -120.685 bonds (distance) P-C4' energy: -116.287 flat angles C4'-P-C4' energy: -150.416 flat angles P-C4'-P energy: -108.487 tors. eta vs tors. theta energy: -224.077 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: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2414.568700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.568700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.568700 (E_RNA) where: Base-Base interactions energy: -1718.577 where: short stacking energy: -711.952 Base-Backbone interact. energy: -2.075 local terms energy: -693.916399 where: bonds (distance) C4'-P energy: -119.567 bonds (distance) P-C4' energy: -114.732 flat angles C4'-P-C4' energy: -147.788 flat angles P-C4'-P energy: -104.329 tors. eta vs tors. theta energy: -207.501 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: 5, replica: 9 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2376.262069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.262069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.262069 (E_RNA) where: Base-Base interactions energy: -1696.593 where: short stacking energy: -689.489 Base-Backbone interact. energy: -1.909 local terms energy: -677.760313 where: bonds (distance) C4'-P energy: -123.504 bonds (distance) P-C4' energy: -111.198 flat angles C4'-P-C4' energy: -144.820 flat angles P-C4'-P energy: -97.242 tors. eta vs tors. theta energy: -200.996 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: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2289.991187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.991187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.991187 (E_RNA) where: Base-Base interactions energy: -1620.377 where: short stacking energy: -658.526 Base-Backbone interact. energy: 1.146 local terms energy: -670.760680 where: bonds (distance) C4'-P energy: -117.842 bonds (distance) P-C4' energy: -125.251 flat angles C4'-P-C4' energy: -141.804 flat angles P-C4'-P energy: -85.919 tors. eta vs tors. theta energy: -199.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2098.964519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.964519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.964519 (E_RNA) where: Base-Base interactions energy: -1443.503 where: short stacking energy: -596.715 Base-Backbone interact. energy: -0.418 local terms energy: -655.043793 where: bonds (distance) C4'-P energy: -128.854 bonds (distance) P-C4' energy: -124.631 flat angles C4'-P-C4' energy: -135.058 flat angles P-C4'-P energy: -81.941 tors. eta vs tors. theta energy: -184.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1867.169004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.169004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.169004 (E_RNA) where: Base-Base interactions energy: -1285.512 where: short stacking energy: -518.309 Base-Backbone interact. energy: -3.645 local terms energy: -578.012377 where: bonds (distance) C4'-P energy: -81.981 bonds (distance) P-C4' energy: -128.846 flat angles C4'-P-C4' energy: -136.062 flat angles P-C4'-P energy: -83.188 tors. eta vs tors. theta energy: -147.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1283.330526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.330526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.330526 (E_RNA) where: Base-Base interactions energy: -845.220 where: short stacking energy: -361.266 Base-Backbone interact. energy: 1.491 local terms energy: -439.601407 where: bonds (distance) C4'-P energy: -97.345 bonds (distance) P-C4' energy: -117.010 flat angles C4'-P-C4' energy: -110.109 flat angles P-C4'-P energy: -37.864 tors. eta vs tors. theta energy: -77.273 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: 6 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -979.301189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.301189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.301189 (E_RNA) where: Base-Base interactions energy: -589.745 where: short stacking energy: -265.225 Base-Backbone interact. energy: 3.701 local terms energy: -393.257325 where: bonds (distance) C4'-P energy: -101.467 bonds (distance) P-C4' energy: -113.788 flat angles C4'-P-C4' energy: -108.660 flat angles P-C4'-P energy: -56.079 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: 1, replica: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2687.683987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.683987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.683987 (E_RNA) where: Base-Base interactions energy: -1927.037 where: short stacking energy: -751.139 Base-Backbone interact. energy: 1.366 local terms energy: -762.012165 where: bonds (distance) C4'-P energy: -124.740 bonds (distance) P-C4' energy: -145.562 flat angles C4'-P-C4' energy: -161.528 flat angles P-C4'-P energy: -99.932 tors. eta vs tors. theta energy: -230.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2555.675717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.675717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.675717 (E_RNA) where: Base-Base interactions energy: -1793.466 where: short stacking energy: -748.766 Base-Backbone interact. energy: -1.993 local terms energy: -760.216029 where: bonds (distance) C4'-P energy: -130.219 bonds (distance) P-C4' energy: -139.017 flat angles C4'-P-C4' energy: -153.960 flat angles P-C4'-P energy: -105.073 tors. eta vs tors. theta energy: -231.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2543.330917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.330917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.330917 (E_RNA) where: Base-Base interactions energy: -1812.301 where: short stacking energy: -730.961 Base-Backbone interact. energy: -1.578 local terms energy: -729.451677 where: bonds (distance) C4'-P energy: -121.145 bonds (distance) P-C4' energy: -121.781 flat angles C4'-P-C4' energy: -161.783 flat angles P-C4'-P energy: -108.375 tors. eta vs tors. theta energy: -216.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2467.104787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.104787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.104787 (E_RNA) where: Base-Base interactions energy: -1764.315 where: short stacking energy: -731.078 Base-Backbone interact. energy: -1.078 local terms energy: -701.711268 where: bonds (distance) C4'-P energy: -115.081 bonds (distance) P-C4' energy: -124.236 flat angles C4'-P-C4' energy: -148.523 flat angles P-C4'-P energy: -95.126 tors. eta vs tors. theta energy: -218.745 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: 9 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2359.104360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.104360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.104360 (E_RNA) where: Base-Base interactions energy: -1665.717 where: short stacking energy: -670.959 Base-Backbone interact. energy: -2.767 local terms energy: -690.620883 where: bonds (distance) C4'-P energy: -112.093 bonds (distance) P-C4' energy: -117.531 flat angles C4'-P-C4' energy: -146.993 flat angles P-C4'-P energy: -105.967 tors. eta vs tors. theta energy: -208.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2230.154873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.154873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.154873 (E_RNA) where: Base-Base interactions energy: -1588.457 where: short stacking energy: -643.386 Base-Backbone interact. energy: -1.455 local terms energy: -640.243146 where: bonds (distance) C4'-P energy: -112.292 bonds (distance) P-C4' energy: -121.801 flat angles C4'-P-C4' energy: -135.748 flat angles P-C4'-P energy: -89.006 tors. eta vs tors. theta energy: -181.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2097.620273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.620273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.620273 (E_RNA) where: Base-Base interactions energy: -1467.190 where: short stacking energy: -620.802 Base-Backbone interact. energy: 1.280 local terms energy: -631.710100 where: bonds (distance) C4'-P energy: -112.224 bonds (distance) P-C4' energy: -110.341 flat angles C4'-P-C4' energy: -145.829 flat angles P-C4'-P energy: -90.554 tors. eta vs tors. theta energy: -172.761 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: 3 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1831.509362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.509362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.509362 (E_RNA) where: Base-Base interactions energy: -1276.165 where: short stacking energy: -533.273 Base-Backbone interact. energy: -1.025 local terms energy: -554.319070 where: bonds (distance) C4'-P energy: -105.686 bonds (distance) P-C4' energy: -101.178 flat angles C4'-P-C4' energy: -115.436 flat angles P-C4'-P energy: -74.223 tors. eta vs tors. theta energy: -157.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1370.764250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.764250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.764250 (E_RNA) where: Base-Base interactions energy: -863.730 where: short stacking energy: -374.214 Base-Backbone interact. energy: 3.946 local terms energy: -510.980228 where: bonds (distance) C4'-P energy: -122.103 bonds (distance) P-C4' energy: -113.193 flat angles C4'-P-C4' energy: -113.457 flat angles P-C4'-P energy: -85.449 tors. eta vs tors. theta energy: -76.778 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: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -967.180824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.180824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.180824 (E_RNA) where: Base-Base interactions energy: -582.468 where: short stacking energy: -260.141 Base-Backbone interact. energy: 2.496 local terms energy: -387.208466 where: bonds (distance) C4'-P energy: -95.073 bonds (distance) P-C4' energy: -110.791 flat angles C4'-P-C4' energy: -84.715 flat angles P-C4'-P energy: -62.874 tors. eta vs tors. theta energy: -33.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2706.593685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.593685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.593685 (E_RNA) where: Base-Base interactions energy: -1945.050 where: short stacking energy: -773.536 Base-Backbone interact. energy: -0.204 local terms energy: -761.339762 where: bonds (distance) C4'-P energy: -136.444 bonds (distance) P-C4' energy: -132.273 flat angles C4'-P-C4' energy: -166.920 flat angles P-C4'-P energy: -90.939 tors. eta vs tors. theta energy: -234.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2568.169257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.169257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.169257 (E_RNA) where: Base-Base interactions energy: -1808.665 where: short stacking energy: -733.717 Base-Backbone interact. energy: -1.841 local terms energy: -757.663745 where: bonds (distance) C4'-P energy: -133.117 bonds (distance) P-C4' energy: -130.671 flat angles C4'-P-C4' energy: -156.184 flat angles P-C4'-P energy: -102.074 tors. eta vs tors. theta energy: -235.618 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: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2524.256728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.256728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.256728 (E_RNA) where: Base-Base interactions energy: -1816.586 where: short stacking energy: -746.693 Base-Backbone interact. energy: 0.877 local terms energy: -708.547471 where: bonds (distance) C4'-P energy: -117.037 bonds (distance) P-C4' energy: -126.041 flat angles C4'-P-C4' energy: -137.659 flat angles P-C4'-P energy: -101.984 tors. eta vs tors. theta energy: -225.827 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: 283 Temperature: 1.050000 Total energy: -2453.720865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.720865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.720865 (E_RNA) where: Base-Base interactions energy: -1737.995 where: short stacking energy: -685.554 Base-Backbone interact. energy: -0.565 local terms energy: -715.161667 where: bonds (distance) C4'-P energy: -119.553 bonds (distance) P-C4' energy: -129.619 flat angles C4'-P-C4' energy: -149.984 flat angles P-C4'-P energy: -101.078 tors. eta vs tors. theta energy: -214.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2406.027316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.027316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.027316 (E_RNA) where: Base-Base interactions energy: -1725.433 where: short stacking energy: -710.940 Base-Backbone interact. energy: -3.115 local terms energy: -677.480139 where: bonds (distance) C4'-P energy: -109.839 bonds (distance) P-C4' energy: -112.471 flat angles C4'-P-C4' energy: -150.225 flat angles P-C4'-P energy: -84.174 tors. eta vs tors. theta energy: -220.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2303.693113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.693113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.693113 (E_RNA) where: Base-Base interactions energy: -1635.727 where: short stacking energy: -636.631 Base-Backbone interact. energy: -1.372 local terms energy: -666.594196 where: bonds (distance) C4'-P energy: -100.352 bonds (distance) P-C4' energy: -132.561 flat angles C4'-P-C4' energy: -146.239 flat angles P-C4'-P energy: -93.055 tors. eta vs tors. theta energy: -194.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2146.523223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.523223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.523223 (E_RNA) where: Base-Base interactions energy: -1521.203 where: short stacking energy: -641.644 Base-Backbone interact. energy: 0.460 local terms energy: -625.780786 where: bonds (distance) C4'-P energy: -96.256 bonds (distance) P-C4' energy: -123.287 flat angles C4'-P-C4' energy: -129.366 flat angles P-C4'-P energy: -82.075 tors. eta vs tors. theta energy: -194.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1838.446607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.446607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.446607 (E_RNA) where: Base-Base interactions energy: -1249.705 where: short stacking energy: -510.056 Base-Backbone interact. energy: -1.432 local terms energy: -587.309788 where: bonds (distance) C4'-P energy: -114.870 bonds (distance) P-C4' energy: -111.587 flat angles C4'-P-C4' energy: -131.553 flat angles P-C4'-P energy: -91.319 tors. eta vs tors. theta energy: -137.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1339.325321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.325321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.325321 (E_RNA) where: Base-Base interactions energy: -844.571 where: short stacking energy: -400.847 Base-Backbone interact. energy: 1.132 local terms energy: -495.886013 where: bonds (distance) C4'-P energy: -112.028 bonds (distance) P-C4' energy: -106.375 flat angles C4'-P-C4' energy: -110.559 flat angles P-C4'-P energy: -71.178 tors. eta vs tors. theta energy: -95.747 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: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -975.799259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.799259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.799259 (E_RNA) where: Base-Base interactions energy: -586.958 where: short stacking energy: -284.895 Base-Backbone interact. energy: -1.551 local terms energy: -387.290463 where: bonds (distance) C4'-P energy: -85.094 bonds (distance) P-C4' energy: -108.178 flat angles C4'-P-C4' energy: -87.939 flat angles P-C4'-P energy: -73.374 tors. eta vs tors. theta energy: -32.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2665.757188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.757188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.757188 (E_RNA) where: Base-Base interactions energy: -1919.101 where: short stacking energy: -745.987 Base-Backbone interact. energy: 0.231 local terms energy: -746.886335 where: bonds (distance) C4'-P energy: -129.706 bonds (distance) P-C4' energy: -135.993 flat angles C4'-P-C4' energy: -147.882 flat angles P-C4'-P energy: -101.747 tors. eta vs tors. theta energy: -231.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2570.189837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.189837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.189837 (E_RNA) where: Base-Base interactions energy: -1811.318 where: short stacking energy: -755.817 Base-Backbone interact. energy: -0.552 local terms energy: -758.320649 where: bonds (distance) C4'-P energy: -139.616 bonds (distance) P-C4' energy: -133.444 flat angles C4'-P-C4' energy: -151.814 flat angles P-C4'-P energy: -97.556 tors. eta vs tors. theta energy: -235.892 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: 10 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2540.541968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.541968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.541968 (E_RNA) where: Base-Base interactions energy: -1823.175 where: short stacking energy: -738.780 Base-Backbone interact. energy: -1.774 local terms energy: -715.592207 where: bonds (distance) C4'-P energy: -126.587 bonds (distance) P-C4' energy: -138.670 flat angles C4'-P-C4' energy: -134.896 flat angles P-C4'-P energy: -87.331 tors. eta vs tors. theta energy: -228.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2447.681840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.681840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.681840 (E_RNA) where: Base-Base interactions energy: -1748.509 where: short stacking energy: -709.112 Base-Backbone interact. energy: -2.524 local terms energy: -696.648944 where: bonds (distance) C4'-P energy: -105.767 bonds (distance) P-C4' energy: -126.287 flat angles C4'-P-C4' energy: -149.533 flat angles P-C4'-P energy: -92.938 tors. eta vs tors. theta energy: -222.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2393.455294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.455294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.455294 (E_RNA) where: Base-Base interactions energy: -1690.372 where: short stacking energy: -684.626 Base-Backbone interact. energy: -0.941 local terms energy: -702.142442 where: bonds (distance) C4'-P energy: -123.677 bonds (distance) P-C4' energy: -129.088 flat angles C4'-P-C4' energy: -147.325 flat angles P-C4'-P energy: -89.109 tors. eta vs tors. theta energy: -212.944 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: 284 Temperature: 1.150000 Total energy: -2244.886301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.886301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.886301 (E_RNA) where: Base-Base interactions energy: -1580.569 where: short stacking energy: -634.157 Base-Backbone interact. energy: -0.682 local terms energy: -663.635042 where: bonds (distance) C4'-P energy: -112.482 bonds (distance) P-C4' energy: -110.450 flat angles C4'-P-C4' energy: -138.717 flat angles P-C4'-P energy: -107.903 tors. eta vs tors. theta energy: -194.083 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: 7, replica: 5 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2047.903900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.903900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.903900 (E_RNA) where: Base-Base interactions energy: -1422.414 where: short stacking energy: -587.567 Base-Backbone interact. energy: -1.720 local terms energy: -623.769252 where: bonds (distance) C4'-P energy: -119.926 bonds (distance) P-C4' energy: -115.088 flat angles C4'-P-C4' energy: -132.833 flat angles P-C4'-P energy: -75.678 tors. eta vs tors. theta energy: -180.245 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: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1853.332296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.332296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.332296 (E_RNA) where: Base-Base interactions energy: -1280.761 where: short stacking energy: -546.812 Base-Backbone interact. energy: -0.152 local terms energy: -572.420039 where: bonds (distance) C4'-P energy: -106.101 bonds (distance) P-C4' energy: -124.507 flat angles C4'-P-C4' energy: -134.864 flat angles P-C4'-P energy: -71.197 tors. eta vs tors. theta energy: -135.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1347.409296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.409296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.409296 (E_RNA) where: Base-Base interactions energy: -829.659 where: short stacking energy: -380.488 Base-Backbone interact. energy: 3.024 local terms energy: -520.774137 where: bonds (distance) C4'-P energy: -105.887 bonds (distance) P-C4' energy: -124.801 flat angles C4'-P-C4' energy: -112.542 flat angles P-C4'-P energy: -87.725 tors. eta vs tors. theta energy: -89.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -981.352499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.352499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.352499 (E_RNA) where: Base-Base interactions energy: -600.246 where: short stacking energy: -265.115 Base-Backbone interact. energy: -1.495 local terms energy: -379.611536 where: bonds (distance) C4'-P energy: -96.697 bonds (distance) P-C4' energy: -102.853 flat angles C4'-P-C4' energy: -104.319 flat angles P-C4'-P energy: -50.445 tors. eta vs tors. theta energy: -25.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2671.723731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.723731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.723731 (E_RNA) where: Base-Base interactions energy: -1916.472 where: short stacking energy: -754.513 Base-Backbone interact. energy: -3.277 local terms energy: -751.975201 where: bonds (distance) C4'-P energy: -135.832 bonds (distance) P-C4' energy: -146.155 flat angles C4'-P-C4' energy: -152.696 flat angles P-C4'-P energy: -95.971 tors. eta vs tors. theta energy: -221.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2582.903971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.903971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.903971 (E_RNA) where: Base-Base interactions energy: -1807.351 where: short stacking energy: -745.305 Base-Backbone interact. energy: -1.207 local terms energy: -774.345820 where: bonds (distance) C4'-P energy: -133.029 bonds (distance) P-C4' energy: -126.472 flat angles C4'-P-C4' energy: -165.452 flat angles P-C4'-P energy: -112.003 tors. eta vs tors. theta energy: -237.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2542.579375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.579375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.579375 (E_RNA) where: Base-Base interactions energy: -1809.697 where: short stacking energy: -755.205 Base-Backbone interact. energy: -1.821 local terms energy: -731.060830 where: bonds (distance) C4'-P energy: -115.968 bonds (distance) P-C4' energy: -124.127 flat angles C4'-P-C4' energy: -163.955 flat angles P-C4'-P energy: -98.207 tors. eta vs tors. theta energy: -228.805 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: 2 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2428.892963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.892963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.892963 (E_RNA) where: Base-Base interactions energy: -1706.305 where: short stacking energy: -716.327 Base-Backbone interact. energy: -0.085 local terms energy: -722.503446 where: bonds (distance) C4'-P energy: -120.132 bonds (distance) P-C4' energy: -117.186 flat angles C4'-P-C4' energy: -152.794 flat angles P-C4'-P energy: -97.837 tors. eta vs tors. theta energy: -234.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2365.082201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.082201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.082201 (E_RNA) where: Base-Base interactions energy: -1668.313 where: short stacking energy: -672.795 Base-Backbone interact. energy: -1.661 local terms energy: -695.107704 where: bonds (distance) C4'-P energy: -117.096 bonds (distance) P-C4' energy: -125.459 flat angles C4'-P-C4' energy: -139.960 flat angles P-C4'-P energy: -107.255 tors. eta vs tors. theta energy: -205.337 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: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2258.849560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.849560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.849560 (E_RNA) where: Base-Base interactions energy: -1607.484 where: short stacking energy: -654.034 Base-Backbone interact. energy: -1.626 local terms energy: -649.739211 where: bonds (distance) C4'-P energy: -108.123 bonds (distance) P-C4' energy: -95.420 flat angles C4'-P-C4' energy: -151.247 flat angles P-C4'-P energy: -92.154 tors. eta vs tors. theta energy: -202.795 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: 5 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2167.296535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.296535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.296535 (E_RNA) where: Base-Base interactions energy: -1530.499 where: short stacking energy: -641.478 Base-Backbone interact. energy: -3.574 local terms energy: -633.223389 where: bonds (distance) C4'-P energy: -106.955 bonds (distance) P-C4' energy: -100.516 flat angles C4'-P-C4' energy: -125.141 flat angles P-C4'-P energy: -110.313 tors. eta vs tors. theta energy: -190.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1831.462939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.462939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.462939 (E_RNA) where: Base-Base interactions energy: -1269.030 where: short stacking energy: -513.158 Base-Backbone interact. energy: -2.491 local terms energy: -559.942197 where: bonds (distance) C4'-P energy: -108.718 bonds (distance) P-C4' energy: -114.560 flat angles C4'-P-C4' energy: -110.978 flat angles P-C4'-P energy: -87.156 tors. eta vs tors. theta energy: -138.532 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: 9, replica: 7 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1349.073031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.073031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.073031 (E_RNA) where: Base-Base interactions energy: -858.477 where: short stacking energy: -367.579 Base-Backbone interact. energy: -1.571 local terms energy: -489.025271 where: bonds (distance) C4'-P energy: -120.311 bonds (distance) P-C4' energy: -113.454 flat angles C4'-P-C4' energy: -112.492 flat angles P-C4'-P energy: -68.493 tors. eta vs tors. theta energy: -74.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1041.850610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.850610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.850610 (E_RNA) where: Base-Base interactions energy: -634.589 where: short stacking energy: -292.235 Base-Backbone interact. energy: -1.078 local terms energy: -406.184414 where: bonds (distance) C4'-P energy: -116.701 bonds (distance) P-C4' energy: -112.673 flat angles C4'-P-C4' energy: -102.161 flat angles P-C4'-P energy: -47.293 tors. eta vs tors. theta energy: -27.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2688.734037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.734037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.734037 (E_RNA) where: Base-Base interactions energy: -1940.693 where: short stacking energy: -768.411 Base-Backbone interact. energy: -1.330 local terms energy: -746.711435 where: bonds (distance) C4'-P energy: -132.880 bonds (distance) P-C4' energy: -133.219 flat angles C4'-P-C4' energy: -159.487 flat angles P-C4'-P energy: -88.527 tors. eta vs tors. theta energy: -232.598 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: 1 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2545.279380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.279380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.279380 (E_RNA) where: Base-Base interactions energy: -1805.997 where: short stacking energy: -747.019 Base-Backbone interact. energy: -2.081 local terms energy: -737.201788 where: bonds (distance) C4'-P energy: -122.048 bonds (distance) P-C4' energy: -128.407 flat angles C4'-P-C4' energy: -141.078 flat angles P-C4'-P energy: -110.862 tors. eta vs tors. theta energy: -234.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2546.233653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.233653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.233653 (E_RNA) where: Base-Base interactions energy: -1810.378 where: short stacking energy: -762.345 Base-Backbone interact. energy: -1.175 local terms energy: -734.680918 where: bonds (distance) C4'-P energy: -130.979 bonds (distance) P-C4' energy: -125.918 flat angles C4'-P-C4' energy: -152.122 flat angles P-C4'-P energy: -97.099 tors. eta vs tors. theta energy: -228.563 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: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2440.401860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.401860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.401860 (E_RNA) where: Base-Base interactions energy: -1717.043 where: short stacking energy: -710.418 Base-Backbone interact. energy: -1.651 local terms energy: -721.706905 where: bonds (distance) C4'-P energy: -123.270 bonds (distance) P-C4' energy: -134.807 flat angles C4'-P-C4' energy: -149.819 flat angles P-C4'-P energy: -98.227 tors. eta vs tors. theta energy: -215.585 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: 286 Temperature: 1.100000 Total energy: -2362.651201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.651201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.651201 (E_RNA) where: Base-Base interactions energy: -1675.828 where: short stacking energy: -686.621 Base-Backbone interact. energy: 1.901 local terms energy: -688.724589 where: bonds (distance) C4'-P energy: -114.504 bonds (distance) P-C4' energy: -127.179 flat angles C4'-P-C4' energy: -138.701 flat angles P-C4'-P energy: -102.995 tors. eta vs tors. theta energy: -205.345 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: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2313.623026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.623026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.623026 (E_RNA) where: Base-Base interactions energy: -1644.320 where: short stacking energy: -662.447 Base-Backbone interact. energy: 0.276 local terms energy: -669.579431 where: bonds (distance) C4'-P energy: -119.794 bonds (distance) P-C4' energy: -122.841 flat angles C4'-P-C4' energy: -139.689 flat angles P-C4'-P energy: -100.819 tors. eta vs tors. theta energy: -186.436 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: 5 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2141.826734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.826734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.826734 (E_RNA) where: Base-Base interactions energy: -1498.551 where: short stacking energy: -603.767 Base-Backbone interact. energy: 0.934 local terms energy: -644.209557 where: bonds (distance) C4'-P energy: -122.645 bonds (distance) P-C4' energy: -115.923 flat angles C4'-P-C4' energy: -129.151 flat angles P-C4'-P energy: -84.971 tors. eta vs tors. theta energy: -191.519 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: 3 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1889.828608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.828608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.828608 (E_RNA) where: Base-Base interactions energy: -1302.211 where: short stacking energy: -548.457 Base-Backbone interact. energy: -2.308 local terms energy: -585.309500 where: bonds (distance) C4'-P energy: -106.707 bonds (distance) P-C4' energy: -89.341 flat angles C4'-P-C4' energy: -143.843 flat angles P-C4'-P energy: -92.834 tors. eta vs tors. theta energy: -152.584 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: 9, replica: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1303.566933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.566933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.566933 (E_RNA) where: Base-Base interactions energy: -858.064 where: short stacking energy: -386.174 Base-Backbone interact. energy: -2.011 local terms energy: -443.491835 where: bonds (distance) C4'-P energy: -95.470 bonds (distance) P-C4' energy: -96.987 flat angles C4'-P-C4' energy: -119.766 flat angles P-C4'-P energy: -58.247 tors. eta vs tors. theta energy: -73.022 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: 6 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1075.226218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.226218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.226218 (E_RNA) where: Base-Base interactions energy: -708.667 where: short stacking energy: -289.229 Base-Backbone interact. energy: -2.546 local terms energy: -364.012849 where: bonds (distance) C4'-P energy: -94.181 bonds (distance) P-C4' energy: -106.355 flat angles C4'-P-C4' energy: -97.156 flat angles P-C4'-P energy: -41.823 tors. eta vs tors. theta energy: -24.498 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: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2699.694699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.694699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.694699 (E_RNA) where: Base-Base interactions energy: -1945.692 where: short stacking energy: -765.297 Base-Backbone interact. energy: -1.148 local terms energy: -752.854676 where: bonds (distance) C4'-P energy: -136.508 bonds (distance) P-C4' energy: -135.155 flat angles C4'-P-C4' energy: -140.359 flat angles P-C4'-P energy: -103.186 tors. eta vs tors. theta energy: -237.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2566.591132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.591132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.591132 (E_RNA) where: Base-Base interactions energy: -1840.766 where: short stacking energy: -738.016 Base-Backbone interact. energy: -3.374 local terms energy: -722.451566 where: bonds (distance) C4'-P energy: -129.922 bonds (distance) P-C4' energy: -123.177 flat angles C4'-P-C4' energy: -148.022 flat angles P-C4'-P energy: -104.995 tors. eta vs tors. theta energy: -216.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2517.530652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.530652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.530652 (E_RNA) where: Base-Base interactions energy: -1762.798 where: short stacking energy: -752.711 Base-Backbone interact. energy: -0.822 local terms energy: -753.910516 where: bonds (distance) C4'-P energy: -117.761 bonds (distance) P-C4' energy: -128.654 flat angles C4'-P-C4' energy: -163.273 flat angles P-C4'-P energy: -106.739 tors. eta vs tors. theta energy: -237.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2432.108480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.108480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.108480 (E_RNA) where: Base-Base interactions energy: -1720.091 where: short stacking energy: -708.102 Base-Backbone interact. energy: -2.411 local terms energy: -709.606454 where: bonds (distance) C4'-P energy: -112.849 bonds (distance) P-C4' energy: -133.073 flat angles C4'-P-C4' energy: -148.499 flat angles P-C4'-P energy: -99.170 tors. eta vs tors. theta energy: -216.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2351.187280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.187280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.187280 (E_RNA) where: Base-Base interactions energy: -1674.278 where: short stacking energy: -689.180 Base-Backbone interact. energy: -1.325 local terms energy: -675.583686 where: bonds (distance) C4'-P energy: -120.794 bonds (distance) P-C4' energy: -115.521 flat angles C4'-P-C4' energy: -131.216 flat angles P-C4'-P energy: -97.070 tors. eta vs tors. theta energy: -210.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2343.065134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.065134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.065134 (E_RNA) where: Base-Base interactions energy: -1655.735 where: short stacking energy: -663.031 Base-Backbone interact. energy: -1.116 local terms energy: -686.214210 where: bonds (distance) C4'-P energy: -124.339 bonds (distance) P-C4' energy: -109.419 flat angles C4'-P-C4' energy: -143.102 flat angles P-C4'-P energy: -98.515 tors. eta vs tors. theta energy: -210.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2172.156719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.156719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.156719 (E_RNA) where: Base-Base interactions energy: -1541.898 where: short stacking energy: -633.124 Base-Backbone interact. energy: -0.256 local terms energy: -630.003086 where: bonds (distance) C4'-P energy: -102.629 bonds (distance) P-C4' energy: -118.791 flat angles C4'-P-C4' energy: -128.578 flat angles P-C4'-P energy: -83.565 tors. eta vs tors. theta energy: -196.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1939.840727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.840727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.840727 (E_RNA) where: Base-Base interactions energy: -1365.595 where: short stacking energy: -560.007 Base-Backbone interact. energy: -0.931 local terms energy: -573.314973 where: bonds (distance) C4'-P energy: -100.399 bonds (distance) P-C4' energy: -114.311 flat angles C4'-P-C4' energy: -136.180 flat angles P-C4'-P energy: -77.709 tors. eta vs tors. theta energy: -144.716 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: 9, replica: 7 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1397.833195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.833195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.833195 (E_RNA) where: Base-Base interactions energy: -895.257 where: short stacking energy: -400.399 Base-Backbone interact. energy: -0.573 local terms energy: -502.002937 where: bonds (distance) C4'-P energy: -104.897 bonds (distance) P-C4' energy: -111.532 flat angles C4'-P-C4' energy: -126.020 flat angles P-C4'-P energy: -61.608 tors. eta vs tors. theta energy: -97.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1041.309637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.309637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.309637 (E_RNA) where: Base-Base interactions energy: -616.614 where: short stacking energy: -285.850 Base-Backbone interact. energy: 2.955 local terms energy: -427.650722 where: bonds (distance) C4'-P energy: -123.699 bonds (distance) P-C4' energy: -115.469 flat angles C4'-P-C4' energy: -78.448 flat angles P-C4'-P energy: -79.349 tors. eta vs tors. theta energy: -30.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2681.925195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.925195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.925195 (E_RNA) where: Base-Base interactions energy: -1930.120 where: short stacking energy: -759.186 Base-Backbone interact. energy: -5.307 local terms energy: -746.497653 where: bonds (distance) C4'-P energy: -134.594 bonds (distance) P-C4' energy: -125.701 flat angles C4'-P-C4' energy: -157.356 flat angles P-C4'-P energy: -104.829 tors. eta vs tors. theta energy: -224.016 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: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2560.035039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.035039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.035039 (E_RNA) where: Base-Base interactions energy: -1821.416 where: short stacking energy: -757.242 Base-Backbone interact. energy: -1.259 local terms energy: -737.360260 where: bonds (distance) C4'-P energy: -115.878 bonds (distance) P-C4' energy: -121.715 flat angles C4'-P-C4' energy: -153.067 flat angles P-C4'-P energy: -112.159 tors. eta vs tors. theta energy: -234.541 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: 3, replica: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2511.860810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.860810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.860810 (E_RNA) where: Base-Base interactions energy: -1778.874 where: short stacking energy: -745.365 Base-Backbone interact. energy: -1.228 local terms energy: -731.759065 where: bonds (distance) C4'-P energy: -126.055 bonds (distance) P-C4' energy: -125.953 flat angles C4'-P-C4' energy: -143.474 flat angles P-C4'-P energy: -105.407 tors. eta vs tors. theta energy: -230.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2470.196914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.196914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.196914 (E_RNA) where: Base-Base interactions energy: -1762.030 where: short stacking energy: -732.779 Base-Backbone interact. energy: -2.399 local terms energy: -705.768254 where: bonds (distance) C4'-P energy: -124.455 bonds (distance) P-C4' energy: -112.360 flat angles C4'-P-C4' energy: -153.057 flat angles P-C4'-P energy: -96.010 tors. eta vs tors. theta energy: -219.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2372.697719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.697719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.697719 (E_RNA) where: Base-Base interactions energy: -1693.860 where: short stacking energy: -704.619 Base-Backbone interact. energy: 0.889 local terms energy: -679.726888 where: bonds (distance) C4'-P energy: -109.839 bonds (distance) P-C4' energy: -117.567 flat angles C4'-P-C4' energy: -147.955 flat angles P-C4'-P energy: -94.431 tors. eta vs tors. theta energy: -209.935 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: 6, replica: 9 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2285.829469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.829469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.829469 (E_RNA) where: Base-Base interactions energy: -1642.418 where: short stacking energy: -676.029 Base-Backbone interact. energy: 5.759 local terms energy: -649.169685 where: bonds (distance) C4'-P energy: -112.130 bonds (distance) P-C4' energy: -94.052 flat angles C4'-P-C4' energy: -137.980 flat angles P-C4'-P energy: -92.156 tors. eta vs tors. theta energy: -212.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2167.101112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.101112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.101112 (E_RNA) where: Base-Base interactions energy: -1530.784 where: short stacking energy: -636.296 Base-Backbone interact. energy: -0.334 local terms energy: -635.983577 where: bonds (distance) C4'-P energy: -113.204 bonds (distance) P-C4' energy: -110.547 flat angles C4'-P-C4' energy: -133.711 flat angles P-C4'-P energy: -76.854 tors. eta vs tors. theta energy: -201.667 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: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1922.722268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.722268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.722268 (E_RNA) where: Base-Base interactions energy: -1321.086 where: short stacking energy: -557.656 Base-Backbone interact. energy: -0.628 local terms energy: -601.008060 where: bonds (distance) C4'-P energy: -114.236 bonds (distance) P-C4' energy: -112.481 flat angles C4'-P-C4' energy: -128.642 flat angles P-C4'-P energy: -88.636 tors. eta vs tors. theta energy: -157.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1402.171469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.171469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.171469 (E_RNA) where: Base-Base interactions energy: -920.877 where: short stacking energy: -421.144 Base-Backbone interact. energy: -2.252 local terms energy: -479.043076 where: bonds (distance) C4'-P energy: -100.360 bonds (distance) P-C4' energy: -101.020 flat angles C4'-P-C4' energy: -120.079 flat angles P-C4'-P energy: -58.664 tors. eta vs tors. theta energy: -98.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1011.204636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.204636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.204636 (E_RNA) where: Base-Base interactions energy: -595.964 where: short stacking energy: -287.181 Base-Backbone interact. energy: 6.284 local terms energy: -421.524653 where: bonds (distance) C4'-P energy: -104.079 bonds (distance) P-C4' energy: -122.930 flat angles C4'-P-C4' energy: -95.803 flat angles P-C4'-P energy: -69.970 tors. eta vs tors. theta energy: -28.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2694.656219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.656219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.656219 (E_RNA) where: Base-Base interactions energy: -1918.689 where: short stacking energy: -763.190 Base-Backbone interact. energy: -3.603 local terms energy: -772.363789 where: bonds (distance) C4'-P energy: -137.841 bonds (distance) P-C4' energy: -132.294 flat angles C4'-P-C4' energy: -158.108 flat angles P-C4'-P energy: -108.895 tors. eta vs tors. theta energy: -235.226 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: 10 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2612.521035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.521035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.521035 (E_RNA) where: Base-Base interactions energy: -1854.600 where: short stacking energy: -749.962 Base-Backbone interact. energy: -1.977 local terms energy: -755.943891 where: bonds (distance) C4'-P energy: -140.392 bonds (distance) P-C4' energy: -133.519 flat angles C4'-P-C4' energy: -157.146 flat angles P-C4'-P energy: -99.985 tors. eta vs tors. theta energy: -224.902 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: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2512.709402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.709402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.709402 (E_RNA) where: Base-Base interactions energy: -1763.498 where: short stacking energy: -747.660 Base-Backbone interact. energy: 0.557 local terms energy: -749.768687 where: bonds (distance) C4'-P energy: -119.108 bonds (distance) P-C4' energy: -125.353 flat angles C4'-P-C4' energy: -157.613 flat angles P-C4'-P energy: -114.698 tors. eta vs tors. theta energy: -232.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2482.029072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.029072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.029072 (E_RNA) where: Base-Base interactions energy: -1776.012 where: short stacking energy: -749.505 Base-Backbone interact. energy: -3.015 local terms energy: -703.001849 where: bonds (distance) C4'-P energy: -112.259 bonds (distance) P-C4' energy: -129.363 flat angles C4'-P-C4' energy: -150.891 flat angles P-C4'-P energy: -91.196 tors. eta vs tors. theta energy: -219.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2353.690279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.690279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.690279 (E_RNA) where: Base-Base interactions energy: -1681.250 where: short stacking energy: -679.720 Base-Backbone interact. energy: 0.425 local terms energy: -672.864952 where: bonds (distance) C4'-P energy: -125.543 bonds (distance) P-C4' energy: -122.418 flat angles C4'-P-C4' energy: -151.439 flat angles P-C4'-P energy: -86.639 tors. eta vs tors. theta energy: -186.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2239.206147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.206147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.206147 (E_RNA) where: Base-Base interactions energy: -1570.894 where: short stacking energy: -624.987 Base-Backbone interact. energy: -3.176 local terms energy: -665.136521 where: bonds (distance) C4'-P energy: -114.073 bonds (distance) P-C4' energy: -106.185 flat angles C4'-P-C4' energy: -143.247 flat angles P-C4'-P energy: -102.564 tors. eta vs tors. theta energy: -199.068 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: 5 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2135.290632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.290632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.290632 (E_RNA) where: Base-Base interactions energy: -1508.558 where: short stacking energy: -608.800 Base-Backbone interact. energy: -0.797 local terms energy: -625.935733 where: bonds (distance) C4'-P energy: -123.018 bonds (distance) P-C4' energy: -122.643 flat angles C4'-P-C4' energy: -128.628 flat angles P-C4'-P energy: -72.559 tors. eta vs tors. theta energy: -179.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1936.636810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.636810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.636810 (E_RNA) where: Base-Base interactions energy: -1338.540 where: short stacking energy: -561.784 Base-Backbone interact. energy: -4.373 local terms energy: -593.723662 where: bonds (distance) C4'-P energy: -115.259 bonds (distance) P-C4' energy: -101.669 flat angles C4'-P-C4' energy: -139.480 flat angles P-C4'-P energy: -80.005 tors. eta vs tors. theta energy: -157.312 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: 9, replica: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1442.749632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.749632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.749632 (E_RNA) where: Base-Base interactions energy: -976.944 where: short stacking energy: -407.640 Base-Backbone interact. energy: -1.231 local terms energy: -464.574703 where: bonds (distance) C4'-P energy: -85.465 bonds (distance) P-C4' energy: -112.741 flat angles C4'-P-C4' energy: -106.829 flat angles P-C4'-P energy: -62.562 tors. eta vs tors. theta energy: -96.979 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: 6 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1020.302071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.302071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.302071 (E_RNA) where: Base-Base interactions energy: -635.793 where: short stacking energy: -291.418 Base-Backbone interact. energy: -0.109 local terms energy: -384.399737 where: bonds (distance) C4'-P energy: -101.998 bonds (distance) P-C4' energy: -104.976 flat angles C4'-P-C4' energy: -83.895 flat angles P-C4'-P energy: -43.584 tors. eta vs tors. theta energy: -49.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2717.950295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.950295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.950295 (E_RNA) where: Base-Base interactions energy: -1941.738 where: short stacking energy: -769.371 Base-Backbone interact. energy: -3.486 local terms energy: -772.725672 where: bonds (distance) C4'-P energy: -136.392 bonds (distance) P-C4' energy: -136.065 flat angles C4'-P-C4' energy: -157.420 flat angles P-C4'-P energy: -107.453 tors. eta vs tors. theta energy: -235.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2591.131736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.131736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.131736 (E_RNA) where: Base-Base interactions energy: -1821.347 where: short stacking energy: -722.927 Base-Backbone interact. energy: -1.044 local terms energy: -768.740818 where: bonds (distance) C4'-P energy: -131.662 bonds (distance) P-C4' energy: -134.289 flat angles C4'-P-C4' energy: -160.622 flat angles P-C4'-P energy: -116.197 tors. eta vs tors. theta energy: -225.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2533.941554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.941554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.941554 (E_RNA) where: Base-Base interactions energy: -1775.132 where: short stacking energy: -747.563 Base-Backbone interact. energy: -0.630 local terms energy: -758.179269 where: bonds (distance) C4'-P energy: -131.690 bonds (distance) P-C4' energy: -134.593 flat angles C4'-P-C4' energy: -156.074 flat angles P-C4'-P energy: -97.444 tors. eta vs tors. theta energy: -238.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2456.994024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.994024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.994024 (E_RNA) where: Base-Base interactions energy: -1745.945 where: short stacking energy: -715.785 Base-Backbone interact. energy: -2.340 local terms energy: -708.709243 where: bonds (distance) C4'-P energy: -122.204 bonds (distance) P-C4' energy: -122.429 flat angles C4'-P-C4' energy: -147.897 flat angles P-C4'-P energy: -95.427 tors. eta vs tors. theta energy: -220.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2382.059152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.059152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.059152 (E_RNA) where: Base-Base interactions energy: -1731.128 where: short stacking energy: -680.635 Base-Backbone interact. energy: 1.449 local terms energy: -652.379767 where: bonds (distance) C4'-P energy: -98.621 bonds (distance) P-C4' energy: -113.513 flat angles C4'-P-C4' energy: -141.575 flat angles P-C4'-P energy: -100.247 tors. eta vs tors. theta energy: -198.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2292.542270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.542270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.542270 (E_RNA) where: Base-Base interactions energy: -1653.887 where: short stacking energy: -659.388 Base-Backbone interact. energy: 0.377 local terms energy: -639.032304 where: bonds (distance) C4'-P energy: -109.927 bonds (distance) P-C4' energy: -129.342 flat angles C4'-P-C4' energy: -128.426 flat angles P-C4'-P energy: -73.092 tors. eta vs tors. theta energy: -198.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2103.920318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.920318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.920318 (E_RNA) where: Base-Base interactions energy: -1462.598 where: short stacking energy: -599.678 Base-Backbone interact. energy: -2.059 local terms energy: -639.262991 where: bonds (distance) C4'-P energy: -116.908 bonds (distance) P-C4' energy: -103.022 flat angles C4'-P-C4' energy: -145.360 flat angles P-C4'-P energy: -96.895 tors. eta vs tors. theta energy: -177.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1909.020307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.020307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.020307 (E_RNA) where: Base-Base interactions energy: -1335.474 where: short stacking energy: -558.162 Base-Backbone interact. energy: 1.207 local terms energy: -574.753729 where: bonds (distance) C4'-P energy: -115.074 bonds (distance) P-C4' energy: -99.289 flat angles C4'-P-C4' energy: -135.334 flat angles P-C4'-P energy: -74.052 tors. eta vs tors. theta energy: -151.004 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: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1388.434081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.434081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.434081 (E_RNA) where: Base-Base interactions energy: -898.792 where: short stacking energy: -385.774 Base-Backbone interact. energy: -1.739 local terms energy: -487.902924 where: bonds (distance) C4'-P energy: -110.376 bonds (distance) P-C4' energy: -106.824 flat angles C4'-P-C4' energy: -114.317 flat angles P-C4'-P energy: -67.332 tors. eta vs tors. theta energy: -89.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1078.144957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.144957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.144957 (E_RNA) where: Base-Base interactions energy: -659.277 where: short stacking energy: -288.389 Base-Backbone interact. energy: 1.462 local terms energy: -420.330215 where: bonds (distance) C4'-P energy: -120.269 bonds (distance) P-C4' energy: -114.010 flat angles C4'-P-C4' energy: -96.323 flat angles P-C4'-P energy: -53.159 tors. eta vs tors. theta energy: -36.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2690.669481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.669481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.669481 (E_RNA) where: Base-Base interactions energy: -1910.968 where: short stacking energy: -751.554 Base-Backbone interact. energy: -4.425 local terms energy: -775.276346 where: bonds (distance) C4'-P energy: -144.222 bonds (distance) P-C4' energy: -131.157 flat angles C4'-P-C4' energy: -151.022 flat angles P-C4'-P energy: -121.748 tors. eta vs tors. theta energy: -227.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2580.016980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.016980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.016980 (E_RNA) where: Base-Base interactions energy: -1803.845 where: short stacking energy: -753.386 Base-Backbone interact. energy: 3.887 local terms energy: -780.059136 where: bonds (distance) C4'-P energy: -135.772 bonds (distance) P-C4' energy: -127.304 flat angles C4'-P-C4' energy: -157.401 flat angles P-C4'-P energy: -116.420 tors. eta vs tors. theta energy: -243.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2530.713092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.713092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.713092 (E_RNA) where: Base-Base interactions energy: -1799.098 where: short stacking energy: -728.935 Base-Backbone interact. energy: -0.532 local terms energy: -731.082950 where: bonds (distance) C4'-P energy: -114.511 bonds (distance) P-C4' energy: -127.817 flat angles C4'-P-C4' energy: -152.494 flat angles P-C4'-P energy: -107.037 tors. eta vs tors. theta energy: -229.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2445.774948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.774948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.774948 (E_RNA) where: Base-Base interactions energy: -1741.356 where: short stacking energy: -727.910 Base-Backbone interact. energy: -2.238 local terms energy: -702.181347 where: bonds (distance) C4'-P energy: -109.270 bonds (distance) P-C4' energy: -116.366 flat angles C4'-P-C4' energy: -157.908 flat angles P-C4'-P energy: -98.791 tors. eta vs tors. theta energy: -219.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2437.006587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.006587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.006587 (E_RNA) where: Base-Base interactions energy: -1734.303 where: short stacking energy: -716.754 Base-Backbone interact. energy: -1.777 local terms energy: -700.926214 where: bonds (distance) C4'-P energy: -120.359 bonds (distance) P-C4' energy: -121.359 flat angles C4'-P-C4' energy: -134.818 flat angles P-C4'-P energy: -106.633 tors. eta vs tors. theta energy: -217.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2319.093977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.093977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.093977 (E_RNA) where: Base-Base interactions energy: -1638.893 where: short stacking energy: -671.747 Base-Backbone interact. energy: -1.745 local terms energy: -678.455472 where: bonds (distance) C4'-P energy: -114.793 bonds (distance) P-C4' energy: -114.396 flat angles C4'-P-C4' energy: -143.145 flat angles P-C4'-P energy: -101.587 tors. eta vs tors. theta energy: -204.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2121.663280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.663280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.663280 (E_RNA) where: Base-Base interactions energy: -1503.853 where: short stacking energy: -606.023 Base-Backbone interact. energy: 0.831 local terms energy: -618.641954 where: bonds (distance) C4'-P energy: -104.898 bonds (distance) P-C4' energy: -104.101 flat angles C4'-P-C4' energy: -122.991 flat angles P-C4'-P energy: -97.153 tors. eta vs tors. theta energy: -189.499 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: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1990.255415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.255415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.255415 (E_RNA) where: Base-Base interactions energy: -1402.219 where: short stacking energy: -580.062 Base-Backbone interact. energy: -0.699 local terms energy: -587.337820 where: bonds (distance) C4'-P energy: -97.922 bonds (distance) P-C4' energy: -101.730 flat angles C4'-P-C4' energy: -134.092 flat angles P-C4'-P energy: -81.879 tors. eta vs tors. theta energy: -171.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1421.936916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.936916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.936916 (E_RNA) where: Base-Base interactions energy: -950.541 where: short stacking energy: -397.659 Base-Backbone interact. energy: 2.487 local terms energy: -473.883275 where: bonds (distance) C4'-P energy: -110.962 bonds (distance) P-C4' energy: -85.435 flat angles C4'-P-C4' energy: -119.349 flat angles P-C4'-P energy: -64.036 tors. eta vs tors. theta energy: -94.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1052.981968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.981968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.981968 (E_RNA) where: Base-Base interactions energy: -649.872 where: short stacking energy: -306.806 Base-Backbone interact. energy: 2.546 local terms energy: -405.656007 where: bonds (distance) C4'-P energy: -77.915 bonds (distance) P-C4' energy: -124.140 flat angles C4'-P-C4' energy: -115.402 flat angles P-C4'-P energy: -65.273 tors. eta vs tors. theta energy: -22.926 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: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2705.567809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.567809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.567809 (E_RNA) where: Base-Base interactions energy: -1946.130 where: short stacking energy: -764.733 Base-Backbone interact. energy: 0.707 local terms energy: -760.144931 where: bonds (distance) C4'-P energy: -124.569 bonds (distance) P-C4' energy: -137.221 flat angles C4'-P-C4' energy: -162.461 flat angles P-C4'-P energy: -106.019 tors. eta vs tors. theta energy: -229.875 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: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2610.152247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.152247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.152247 (E_RNA) where: Base-Base interactions energy: -1838.947 where: short stacking energy: -758.332 Base-Backbone interact. energy: -1.052 local terms energy: -770.153036 where: bonds (distance) C4'-P energy: -142.501 bonds (distance) P-C4' energy: -128.170 flat angles C4'-P-C4' energy: -160.879 flat angles P-C4'-P energy: -102.885 tors. eta vs tors. theta energy: -235.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2549.059320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.059320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.059320 (E_RNA) where: Base-Base interactions energy: -1830.875 where: short stacking energy: -759.671 Base-Backbone interact. energy: -1.797 local terms energy: -716.387627 where: bonds (distance) C4'-P energy: -120.554 bonds (distance) P-C4' energy: -114.656 flat angles C4'-P-C4' energy: -152.302 flat angles P-C4'-P energy: -100.236 tors. eta vs tors. theta energy: -228.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2461.631529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.631529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.631529 (E_RNA) where: Base-Base interactions energy: -1741.188 where: short stacking energy: -735.251 Base-Backbone interact. energy: -0.628 local terms energy: -719.816181 where: bonds (distance) C4'-P energy: -114.336 bonds (distance) P-C4' energy: -131.749 flat angles C4'-P-C4' energy: -148.600 flat angles P-C4'-P energy: -100.851 tors. eta vs tors. theta energy: -224.280 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: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2386.835082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.835082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.835082 (E_RNA) where: Base-Base interactions energy: -1683.623 where: short stacking energy: -668.636 Base-Backbone interact. energy: -1.123 local terms energy: -702.089356 where: bonds (distance) C4'-P energy: -110.478 bonds (distance) P-C4' energy: -143.186 flat angles C4'-P-C4' energy: -143.182 flat angles P-C4'-P energy: -87.165 tors. eta vs tors. theta energy: -218.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2355.334536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.334536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.334536 (E_RNA) where: Base-Base interactions energy: -1710.440 where: short stacking energy: -694.857 Base-Backbone interact. energy: 0.507 local terms energy: -645.402058 where: bonds (distance) C4'-P energy: -102.118 bonds (distance) P-C4' energy: -109.817 flat angles C4'-P-C4' energy: -144.555 flat angles P-C4'-P energy: -76.424 tors. eta vs tors. theta energy: -212.489 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: 5 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2138.640756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.640756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.640756 (E_RNA) where: Base-Base interactions energy: -1537.176 where: short stacking energy: -616.218 Base-Backbone interact. energy: -4.233 local terms energy: -597.231269 where: bonds (distance) C4'-P energy: -99.416 bonds (distance) P-C4' energy: -91.031 flat angles C4'-P-C4' energy: -122.819 flat angles P-C4'-P energy: -94.868 tors. eta vs tors. theta energy: -189.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1995.775476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.775476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.775476 (E_RNA) where: Base-Base interactions energy: -1415.703 where: short stacking energy: -577.810 Base-Backbone interact. energy: -1.887 local terms energy: -578.185576 where: bonds (distance) C4'-P energy: -98.744 bonds (distance) P-C4' energy: -112.394 flat angles C4'-P-C4' energy: -131.732 flat angles P-C4'-P energy: -76.498 tors. eta vs tors. theta energy: -158.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1425.140238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.140238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.140238 (E_RNA) where: Base-Base interactions energy: -908.954 where: short stacking energy: -418.669 Base-Backbone interact. energy: -0.024 local terms energy: -516.161876 where: bonds (distance) C4'-P energy: -107.415 bonds (distance) P-C4' energy: -117.366 flat angles C4'-P-C4' energy: -131.070 flat angles P-C4'-P energy: -76.766 tors. eta vs tors. theta energy: -83.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -993.039407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.039407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.039407 (E_RNA) where: Base-Base interactions energy: -624.612 where: short stacking energy: -272.756 Base-Backbone interact. energy: -2.785 local terms energy: -365.642409 where: bonds (distance) C4'-P energy: -86.120 bonds (distance) P-C4' energy: -98.926 flat angles C4'-P-C4' energy: -105.336 flat angles P-C4'-P energy: -48.510 tors. eta vs tors. theta energy: -26.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2700.907860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.907860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.907860 (E_RNA) where: Base-Base interactions energy: -1937.912 where: short stacking energy: -748.081 Base-Backbone interact. energy: -3.319 local terms energy: -759.676246 where: bonds (distance) C4'-P energy: -122.068 bonds (distance) P-C4' energy: -129.815 flat angles C4'-P-C4' energy: -163.895 flat angles P-C4'-P energy: -104.089 tors. eta vs tors. theta energy: -239.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2557.799942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.799942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.799942 (E_RNA) where: Base-Base interactions energy: -1804.541 where: short stacking energy: -743.769 Base-Backbone interact. energy: -1.198 local terms energy: -752.060838 where: bonds (distance) C4'-P energy: -121.407 bonds (distance) P-C4' energy: -123.981 flat angles C4'-P-C4' energy: -159.290 flat angles P-C4'-P energy: -116.351 tors. eta vs tors. theta energy: -231.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2509.064714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.064714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.064714 (E_RNA) where: Base-Base interactions energy: -1775.421 where: short stacking energy: -749.013 Base-Backbone interact. energy: -1.791 local terms energy: -731.852598 where: bonds (distance) C4'-P energy: -117.474 bonds (distance) P-C4' energy: -121.149 flat angles C4'-P-C4' energy: -162.385 flat angles P-C4'-P energy: -103.922 tors. eta vs tors. theta energy: -226.921 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: 2 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2445.490389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.490389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.490389 (E_RNA) where: Base-Base interactions energy: -1727.169 where: short stacking energy: -732.621 Base-Backbone interact. energy: -2.634 local terms energy: -715.686812 where: bonds (distance) C4'-P energy: -124.789 bonds (distance) P-C4' energy: -118.937 flat angles C4'-P-C4' energy: -153.447 flat angles P-C4'-P energy: -102.609 tors. eta vs tors. theta energy: -215.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2313.842420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.842420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.842420 (E_RNA) where: Base-Base interactions energy: -1646.915 where: short stacking energy: -632.450 Base-Backbone interact. energy: -1.073 local terms energy: -665.854126 where: bonds (distance) C4'-P energy: -123.552 bonds (distance) P-C4' energy: -129.198 flat angles C4'-P-C4' energy: -137.205 flat angles P-C4'-P energy: -86.112 tors. eta vs tors. theta energy: -189.787 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: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2280.399933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.399933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.399933 (E_RNA) where: Base-Base interactions energy: -1640.504 where: short stacking energy: -646.414 Base-Backbone interact. energy: -3.388 local terms energy: -636.507971 where: bonds (distance) C4'-P energy: -105.087 bonds (distance) P-C4' energy: -112.142 flat angles C4'-P-C4' energy: -133.115 flat angles P-C4'-P energy: -81.357 tors. eta vs tors. theta energy: -204.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2062.159480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.159480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.159480 (E_RNA) where: Base-Base interactions energy: -1439.602 where: short stacking energy: -609.066 Base-Backbone interact. energy: 1.117 local terms energy: -623.673965 where: bonds (distance) C4'-P energy: -118.918 bonds (distance) P-C4' energy: -117.263 flat angles C4'-P-C4' energy: -137.080 flat angles P-C4'-P energy: -79.453 tors. eta vs tors. theta energy: -170.959 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: 3 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1895.915721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.915721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.915721 (E_RNA) where: Base-Base interactions energy: -1317.261 where: short stacking energy: -548.523 Base-Backbone interact. energy: 4.618 local terms energy: -583.273091 where: bonds (distance) C4'-P energy: -89.728 bonds (distance) P-C4' energy: -120.431 flat angles C4'-P-C4' energy: -137.260 flat angles P-C4'-P energy: -79.194 tors. eta vs tors. theta energy: -156.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1535.309700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.309700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.309700 (E_RNA) where: Base-Base interactions energy: -1023.914 where: short stacking energy: -459.636 Base-Backbone interact. energy: 2.176 local terms energy: -513.572006 where: bonds (distance) C4'-P energy: -85.651 bonds (distance) P-C4' energy: -123.598 flat angles C4'-P-C4' energy: -117.035 flat angles P-C4'-P energy: -70.176 tors. eta vs tors. theta energy: -117.112 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: 6 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -951.659179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.659179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.659179 (E_RNA) where: Base-Base interactions energy: -559.580 where: short stacking energy: -256.769 Base-Backbone interact. energy: -2.347 local terms energy: -389.732006 where: bonds (distance) C4'-P energy: -110.756 bonds (distance) P-C4' energy: -103.539 flat angles C4'-P-C4' energy: -101.806 flat angles P-C4'-P energy: -57.223 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: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2682.752572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.752572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.752572 (E_RNA) where: Base-Base interactions energy: -1900.769 where: short stacking energy: -755.146 Base-Backbone interact. energy: -4.268 local terms energy: -777.715348 where: bonds (distance) C4'-P energy: -134.890 bonds (distance) P-C4' energy: -148.663 flat angles C4'-P-C4' energy: -156.927 flat angles P-C4'-P energy: -105.739 tors. eta vs tors. theta energy: -231.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2569.845004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.845004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.845004 (E_RNA) where: Base-Base interactions energy: -1780.521 where: short stacking energy: -749.679 Base-Backbone interact. energy: -2.908 local terms energy: -786.416063 where: bonds (distance) C4'-P energy: -134.127 bonds (distance) P-C4' energy: -153.923 flat angles C4'-P-C4' energy: -152.234 flat angles P-C4'-P energy: -109.065 tors. eta vs tors. theta energy: -237.067 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: 10 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2528.729412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.729412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.729412 (E_RNA) where: Base-Base interactions energy: -1777.693 where: short stacking energy: -717.365 Base-Backbone interact. energy: -1.782 local terms energy: -749.253926 where: bonds (distance) C4'-P energy: -134.129 bonds (distance) P-C4' energy: -134.286 flat angles C4'-P-C4' energy: -149.041 flat angles P-C4'-P energy: -100.284 tors. eta vs tors. theta energy: -231.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2465.272680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.272680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.272680 (E_RNA) where: Base-Base interactions energy: -1736.424 where: short stacking energy: -708.248 Base-Backbone interact. energy: -4.322 local terms energy: -724.525947 where: bonds (distance) C4'-P energy: -135.961 bonds (distance) P-C4' energy: -128.677 flat angles C4'-P-C4' energy: -155.903 flat angles P-C4'-P energy: -84.562 tors. eta vs tors. theta energy: -219.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2391.681172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.681172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.681172 (E_RNA) where: Base-Base interactions energy: -1719.738 where: short stacking energy: -678.108 Base-Backbone interact. energy: -2.801 local terms energy: -669.141389 where: bonds (distance) C4'-P energy: -107.411 bonds (distance) P-C4' energy: -118.975 flat angles C4'-P-C4' energy: -143.025 flat angles P-C4'-P energy: -100.829 tors. eta vs tors. theta energy: -198.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2304.474211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.474211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.474211 (E_RNA) where: Base-Base interactions energy: -1609.197 where: short stacking energy: -648.704 Base-Backbone interact. energy: -2.852 local terms energy: -692.424994 where: bonds (distance) C4'-P energy: -126.141 bonds (distance) P-C4' energy: -127.808 flat angles C4'-P-C4' energy: -136.935 flat angles P-C4'-P energy: -88.207 tors. eta vs tors. theta energy: -213.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2099.567663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.567663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.567663 (E_RNA) where: Base-Base interactions energy: -1438.755 where: short stacking energy: -598.933 Base-Backbone interact. energy: -3.682 local terms energy: -657.130575 where: bonds (distance) C4'-P energy: -118.138 bonds (distance) P-C4' energy: -131.056 flat angles C4'-P-C4' energy: -142.306 flat angles P-C4'-P energy: -79.863 tors. eta vs tors. theta energy: -185.767 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: 3 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1901.359341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.359341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.359341 (E_RNA) where: Base-Base interactions energy: -1327.799 where: short stacking energy: -543.698 Base-Backbone interact. energy: -2.429 local terms energy: -571.131493 where: bonds (distance) C4'-P energy: -112.717 bonds (distance) P-C4' energy: -111.699 flat angles C4'-P-C4' energy: -121.894 flat angles P-C4'-P energy: -76.844 tors. eta vs tors. theta energy: -147.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1535.266825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.266825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.266825 (E_RNA) where: Base-Base interactions energy: -1016.647 where: short stacking energy: -433.363 Base-Backbone interact. energy: -3.750 local terms energy: -514.869371 where: bonds (distance) C4'-P energy: -110.653 bonds (distance) P-C4' energy: -120.564 flat angles C4'-P-C4' energy: -108.962 flat angles P-C4'-P energy: -68.251 tors. eta vs tors. theta energy: -106.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -902.161185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.161185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.161185 (E_RNA) where: Base-Base interactions energy: -512.088 where: short stacking energy: -242.453 Base-Backbone interact. energy: -0.959 local terms energy: -389.114291 where: bonds (distance) C4'-P energy: -104.290 bonds (distance) P-C4' energy: -121.885 flat angles C4'-P-C4' energy: -90.385 flat angles P-C4'-P energy: -52.555 tors. eta vs tors. theta energy: -19.999 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: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2701.877739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.877739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.877739 (E_RNA) where: Base-Base interactions energy: -1939.607 where: short stacking energy: -753.317 Base-Backbone interact. energy: -3.880 local terms energy: -758.390889 where: bonds (distance) C4'-P energy: -149.205 bonds (distance) P-C4' energy: -119.676 flat angles C4'-P-C4' energy: -161.745 flat angles P-C4'-P energy: -107.589 tors. eta vs tors. theta energy: -220.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2589.757149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.757149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.757149 (E_RNA) where: Base-Base interactions energy: -1834.578 where: short stacking energy: -742.624 Base-Backbone interact. energy: -1.908 local terms energy: -753.271624 where: bonds (distance) C4'-P energy: -123.845 bonds (distance) P-C4' energy: -141.692 flat angles C4'-P-C4' energy: -155.249 flat angles P-C4'-P energy: -102.174 tors. eta vs tors. theta energy: -230.311 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: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2534.038694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.038694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.038694 (E_RNA) where: Base-Base interactions energy: -1788.903 where: short stacking energy: -730.982 Base-Backbone interact. energy: -0.554 local terms energy: -744.582152 where: bonds (distance) C4'-P energy: -123.005 bonds (distance) P-C4' energy: -122.175 flat angles C4'-P-C4' energy: -163.853 flat angles P-C4'-P energy: -99.688 tors. eta vs tors. theta energy: -235.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2482.230641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.230641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.230641 (E_RNA) where: Base-Base interactions energy: -1765.938 where: short stacking energy: -712.186 Base-Backbone interact. energy: -0.173 local terms energy: -716.120251 where: bonds (distance) C4'-P energy: -126.260 bonds (distance) P-C4' energy: -128.190 flat angles C4'-P-C4' energy: -149.838 flat angles P-C4'-P energy: -92.157 tors. eta vs tors. theta energy: -219.676 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: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2364.754359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.754359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.754359 (E_RNA) where: Base-Base interactions energy: -1698.658 where: short stacking energy: -677.879 Base-Backbone interact. energy: 3.420 local terms energy: -669.516692 where: bonds (distance) C4'-P energy: -101.378 bonds (distance) P-C4' energy: -134.768 flat angles C4'-P-C4' energy: -131.259 flat angles P-C4'-P energy: -97.089 tors. eta vs tors. theta energy: -205.022 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: 6, replica: 9 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2322.580243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.580243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.580243 (E_RNA) where: Base-Base interactions energy: -1636.250 where: short stacking energy: -688.023 Base-Backbone interact. energy: -1.012 local terms energy: -685.318743 where: bonds (distance) C4'-P energy: -113.930 bonds (distance) P-C4' energy: -112.778 flat angles C4'-P-C4' energy: -132.501 flat angles P-C4'-P energy: -103.219 tors. eta vs tors. theta energy: -222.891 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: 5 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2132.301310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.301310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.301310 (E_RNA) where: Base-Base interactions energy: -1509.968 where: short stacking energy: -628.624 Base-Backbone interact. energy: 1.794 local terms energy: -624.127037 where: bonds (distance) C4'-P energy: -113.502 bonds (distance) P-C4' energy: -119.962 flat angles C4'-P-C4' energy: -132.139 flat angles P-C4'-P energy: -66.390 tors. eta vs tors. theta energy: -192.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1904.541301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.541301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.541301 (E_RNA) where: Base-Base interactions energy: -1324.037 where: short stacking energy: -563.332 Base-Backbone interact. energy: -3.044 local terms energy: -577.460246 where: bonds (distance) C4'-P energy: -114.658 bonds (distance) P-C4' energy: -103.190 flat angles C4'-P-C4' energy: -122.057 flat angles P-C4'-P energy: -88.976 tors. eta vs tors. theta energy: -148.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1446.693832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.693832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.693832 (E_RNA) where: Base-Base interactions energy: -940.715 where: short stacking energy: -428.026 Base-Backbone interact. energy: -1.635 local terms energy: -504.344354 where: bonds (distance) C4'-P energy: -113.653 bonds (distance) P-C4' energy: -109.636 flat angles C4'-P-C4' energy: -110.451 flat angles P-C4'-P energy: -71.370 tors. eta vs tors. theta energy: -99.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -920.541122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.541122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.541122 (E_RNA) where: Base-Base interactions energy: -563.063 where: short stacking energy: -249.501 Base-Backbone interact. energy: 5.732 local terms energy: -363.210516 where: bonds (distance) C4'-P energy: -120.933 bonds (distance) P-C4' energy: -103.884 flat angles C4'-P-C4' energy: -81.189 flat angles P-C4'-P energy: -49.282 tors. eta vs tors. theta energy: -7.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2678.512298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.512298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.512298 (E_RNA) where: Base-Base interactions energy: -1951.350 where: short stacking energy: -765.992 Base-Backbone interact. energy: 2.197 local terms energy: -729.358620 where: bonds (distance) C4'-P energy: -113.557 bonds (distance) P-C4' energy: -124.538 flat angles C4'-P-C4' energy: -158.149 flat angles P-C4'-P energy: -105.138 tors. eta vs tors. theta energy: -227.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2570.907032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.907032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.907032 (E_RNA) where: Base-Base interactions energy: -1830.927 where: short stacking energy: -749.459 Base-Backbone interact. energy: -2.072 local terms energy: -737.908717 where: bonds (distance) C4'-P energy: -129.353 bonds (distance) P-C4' energy: -137.762 flat angles C4'-P-C4' energy: -148.654 flat angles P-C4'-P energy: -94.275 tors. eta vs tors. theta energy: -227.865 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: 1 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2507.611736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.611736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.611736 (E_RNA) where: Base-Base interactions energy: -1770.135 where: short stacking energy: -746.723 Base-Backbone interact. energy: -1.519 local terms energy: -735.958009 where: bonds (distance) C4'-P energy: -125.795 bonds (distance) P-C4' energy: -125.903 flat angles C4'-P-C4' energy: -147.856 flat angles P-C4'-P energy: -98.466 tors. eta vs tors. theta energy: -237.939 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: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2430.616287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.616287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.616287 (E_RNA) where: Base-Base interactions energy: -1706.441 where: short stacking energy: -696.972 Base-Backbone interact. energy: -1.471 local terms energy: -722.704144 where: bonds (distance) C4'-P energy: -122.041 bonds (distance) P-C4' energy: -137.693 flat angles C4'-P-C4' energy: -144.898 flat angles P-C4'-P energy: -97.595 tors. eta vs tors. theta energy: -220.476 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: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2359.193401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.193401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.193401 (E_RNA) where: Base-Base interactions energy: -1693.643 where: short stacking energy: -714.472 Base-Backbone interact. energy: 1.116 local terms energy: -666.667060 where: bonds (distance) C4'-P energy: -109.286 bonds (distance) P-C4' energy: -114.310 flat angles C4'-P-C4' energy: -129.479 flat angles P-C4'-P energy: -100.956 tors. eta vs tors. theta energy: -212.636 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: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2285.119661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.119661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.119661 (E_RNA) where: Base-Base interactions energy: -1611.772 where: short stacking energy: -656.147 Base-Backbone interact. energy: 0.081 local terms energy: -673.428712 where: bonds (distance) C4'-P energy: -107.011 bonds (distance) P-C4' energy: -112.735 flat angles C4'-P-C4' energy: -141.180 flat angles P-C4'-P energy: -108.447 tors. eta vs tors. theta energy: -204.057 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: 5 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2149.021759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.021759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.021759 (E_RNA) where: Base-Base interactions energy: -1514.294 where: short stacking energy: -637.357 Base-Backbone interact. energy: -2.744 local terms energy: -631.982799 where: bonds (distance) C4'-P energy: -103.279 bonds (distance) P-C4' energy: -110.295 flat angles C4'-P-C4' energy: -146.410 flat angles P-C4'-P energy: -76.510 tors. eta vs tors. theta energy: -195.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1918.514464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.514464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.514464 (E_RNA) where: Base-Base interactions energy: -1361.484 where: short stacking energy: -587.853 Base-Backbone interact. energy: 1.294 local terms energy: -558.324495 where: bonds (distance) C4'-P energy: -98.899 bonds (distance) P-C4' energy: -97.927 flat angles C4'-P-C4' energy: -125.483 flat angles P-C4'-P energy: -77.410 tors. eta vs tors. theta energy: -158.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1400.116637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.116637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.116637 (E_RNA) where: Base-Base interactions energy: -915.266 where: short stacking energy: -402.533 Base-Backbone interact. energy: -2.389 local terms energy: -482.460965 where: bonds (distance) C4'-P energy: -94.814 bonds (distance) P-C4' energy: -124.667 flat angles C4'-P-C4' energy: -92.791 flat angles P-C4'-P energy: -80.097 tors. eta vs tors. theta energy: -90.092 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: 6 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -919.071101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.071101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.071101 (E_RNA) where: Base-Base interactions energy: -540.496 where: short stacking energy: -259.153 Base-Backbone interact. energy: -2.236 local terms energy: -376.338636 where: bonds (distance) C4'-P energy: -102.959 bonds (distance) P-C4' energy: -107.054 flat angles C4'-P-C4' energy: -100.412 flat angles P-C4'-P energy: -51.510 tors. eta vs tors. theta energy: -14.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2690.719088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.719088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.719088 (E_RNA) where: Base-Base interactions energy: -1945.783 where: short stacking energy: -776.173 Base-Backbone interact. energy: -4.340 local terms energy: -740.596422 where: bonds (distance) C4'-P energy: -126.529 bonds (distance) P-C4' energy: -123.217 flat angles C4'-P-C4' energy: -156.136 flat angles P-C4'-P energy: -103.504 tors. eta vs tors. theta energy: -231.211 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: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2556.245490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.245490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.245490 (E_RNA) where: Base-Base interactions energy: -1780.607 where: short stacking energy: -744.244 Base-Backbone interact. energy: -2.411 local terms energy: -773.227593 where: bonds (distance) C4'-P energy: -128.991 bonds (distance) P-C4' energy: -143.545 flat angles C4'-P-C4' energy: -162.279 flat angles P-C4'-P energy: -100.576 tors. eta vs tors. theta energy: -237.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2532.297731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.297731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.297731 (E_RNA) where: Base-Base interactions energy: -1782.126 where: short stacking energy: -757.875 Base-Backbone interact. energy: -1.919 local terms energy: -748.252998 where: bonds (distance) C4'-P energy: -121.317 bonds (distance) P-C4' energy: -130.954 flat angles C4'-P-C4' energy: -160.402 flat angles P-C4'-P energy: -101.093 tors. eta vs tors. theta energy: -234.487 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: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2464.090513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.090513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.090513 (E_RNA) where: Base-Base interactions energy: -1728.945 where: short stacking energy: -702.144 Base-Backbone interact. energy: -1.814 local terms energy: -733.331369 where: bonds (distance) C4'-P energy: -139.087 bonds (distance) P-C4' energy: -118.587 flat angles C4'-P-C4' energy: -149.007 flat angles P-C4'-P energy: -103.494 tors. eta vs tors. theta energy: -223.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2355.262878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.262878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.262878 (E_RNA) where: Base-Base interactions energy: -1662.950 where: short stacking energy: -684.505 Base-Backbone interact. energy: -0.408 local terms energy: -691.905245 where: bonds (distance) C4'-P energy: -129.773 bonds (distance) P-C4' energy: -114.779 flat angles C4'-P-C4' energy: -145.791 flat angles P-C4'-P energy: -102.907 tors. eta vs tors. theta energy: -198.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2176.784018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.784018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.784018 (E_RNA) where: Base-Base interactions energy: -1535.940 where: short stacking energy: -631.892 Base-Backbone interact. energy: 2.695 local terms energy: -643.538692 where: bonds (distance) C4'-P energy: -103.952 bonds (distance) P-C4' energy: -112.486 flat angles C4'-P-C4' energy: -149.218 flat angles P-C4'-P energy: -85.617 tors. eta vs tors. theta energy: -192.266 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: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2130.377176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.377176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.377176 (E_RNA) where: Base-Base interactions energy: -1528.881 where: short stacking energy: -641.604 Base-Backbone interact. energy: -0.159 local terms energy: -601.336385 where: bonds (distance) C4'-P energy: -104.235 bonds (distance) P-C4' energy: -97.761 flat angles C4'-P-C4' energy: -126.518 flat angles P-C4'-P energy: -89.764 tors. eta vs tors. theta energy: -183.058 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: 3 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1996.460098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.460098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.460098 (E_RNA) where: Base-Base interactions energy: -1405.713 where: short stacking energy: -554.411 Base-Backbone interact. energy: -3.283 local terms energy: -587.463855 where: bonds (distance) C4'-P energy: -100.856 bonds (distance) P-C4' energy: -125.505 flat angles C4'-P-C4' energy: -129.046 flat angles P-C4'-P energy: -79.652 tors. eta vs tors. theta energy: -152.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1446.301273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.301273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.301273 (E_RNA) where: Base-Base interactions energy: -970.795 where: short stacking energy: -411.529 Base-Backbone interact. energy: 0.966 local terms energy: -476.472199 where: bonds (distance) C4'-P energy: -93.690 bonds (distance) P-C4' energy: -106.953 flat angles C4'-P-C4' energy: -116.730 flat angles P-C4'-P energy: -61.304 tors. eta vs tors. theta energy: -97.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -899.791983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.791983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.791983 (E_RNA) where: Base-Base interactions energy: -518.023 where: short stacking energy: -240.526 Base-Backbone interact. energy: 4.870 local terms energy: -386.639175 where: bonds (distance) C4'-P energy: -95.044 bonds (distance) P-C4' energy: -114.523 flat angles C4'-P-C4' energy: -81.816 flat angles P-C4'-P energy: -80.735 tors. eta vs tors. theta energy: -14.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2698.314063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.314063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.314063 (E_RNA) where: Base-Base interactions energy: -1909.527 where: short stacking energy: -758.271 Base-Backbone interact. energy: -0.074 local terms energy: -788.713155 where: bonds (distance) C4'-P energy: -140.652 bonds (distance) P-C4' energy: -152.005 flat angles C4'-P-C4' energy: -155.660 flat angles P-C4'-P energy: -111.484 tors. eta vs tors. theta energy: -228.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2599.841297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.841297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.841297 (E_RNA) where: Base-Base interactions energy: -1835.748 where: short stacking energy: -748.607 Base-Backbone interact. energy: -3.636 local terms energy: -760.457913 where: bonds (distance) C4'-P energy: -135.784 bonds (distance) P-C4' energy: -132.672 flat angles C4'-P-C4' energy: -155.732 flat angles P-C4'-P energy: -104.587 tors. eta vs tors. theta energy: -231.682 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: 1 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2541.303872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.303872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.303872 (E_RNA) where: Base-Base interactions energy: -1797.535 where: short stacking energy: -750.700 Base-Backbone interact. energy: -0.428 local terms energy: -743.340629 where: bonds (distance) C4'-P energy: -131.750 bonds (distance) P-C4' energy: -129.230 flat angles C4'-P-C4' energy: -155.741 flat angles P-C4'-P energy: -92.976 tors. eta vs tors. theta energy: -233.643 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: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2473.734091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.734091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.734091 (E_RNA) where: Base-Base interactions energy: -1784.845 where: short stacking energy: -711.107 Base-Backbone interact. energy: 0.787 local terms energy: -689.676594 where: bonds (distance) C4'-P energy: -116.670 bonds (distance) P-C4' energy: -119.131 flat angles C4'-P-C4' energy: -130.729 flat angles P-C4'-P energy: -102.086 tors. eta vs tors. theta energy: -221.061 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: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2345.975983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.975983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.975983 (E_RNA) where: Base-Base interactions energy: -1677.487 where: short stacking energy: -683.527 Base-Backbone interact. energy: 2.676 local terms energy: -671.165150 where: bonds (distance) C4'-P energy: -95.953 bonds (distance) P-C4' energy: -119.855 flat angles C4'-P-C4' energy: -144.514 flat angles P-C4'-P energy: -94.818 tors. eta vs tors. theta energy: -216.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2159.219656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.219656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.219656 (E_RNA) where: Base-Base interactions energy: -1534.579 where: short stacking energy: -632.316 Base-Backbone interact. energy: -0.493 local terms energy: -624.148098 where: bonds (distance) C4'-P energy: -113.489 bonds (distance) P-C4' energy: -116.730 flat angles C4'-P-C4' energy: -131.840 flat angles P-C4'-P energy: -85.980 tors. eta vs tors. theta energy: -176.109 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: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2173.073571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.073571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.073571 (E_RNA) where: Base-Base interactions energy: -1521.549 where: short stacking energy: -629.823 Base-Backbone interact. energy: -0.633 local terms energy: -650.891607 where: bonds (distance) C4'-P energy: -113.812 bonds (distance) P-C4' energy: -115.803 flat angles C4'-P-C4' energy: -133.360 flat angles P-C4'-P energy: -92.514 tors. eta vs tors. theta energy: -195.402 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: 3 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1939.485372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.485372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.485372 (E_RNA) where: Base-Base interactions energy: -1360.067 where: short stacking energy: -540.997 Base-Backbone interact. energy: 1.289 local terms energy: -580.706916 where: bonds (distance) C4'-P energy: -92.898 bonds (distance) P-C4' energy: -129.832 flat angles C4'-P-C4' energy: -124.090 flat angles P-C4'-P energy: -86.210 tors. eta vs tors. theta energy: -147.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1459.883680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.883680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.883680 (E_RNA) where: Base-Base interactions energy: -968.438 where: short stacking energy: -405.806 Base-Backbone interact. energy: -2.786 local terms energy: -488.659570 where: bonds (distance) C4'-P energy: -100.581 bonds (distance) P-C4' energy: -134.273 flat angles C4'-P-C4' energy: -96.700 flat angles P-C4'-P energy: -65.389 tors. eta vs tors. theta energy: -91.717 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: 10, replica: 6 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -850.625995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.625995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.625995 (E_RNA) where: Base-Base interactions energy: -453.521 where: short stacking energy: -217.353 Base-Backbone interact. energy: 0.045 local terms energy: -397.149969 where: bonds (distance) C4'-P energy: -120.334 bonds (distance) P-C4' energy: -109.659 flat angles C4'-P-C4' energy: -98.599 flat angles P-C4'-P energy: -63.134 tors. eta vs tors. theta energy: -5.424 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: 1, replica: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2690.049603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.049603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.049603 (E_RNA) where: Base-Base interactions energy: -1939.981 where: short stacking energy: -761.532 Base-Backbone interact. energy: -2.420 local terms energy: -747.648490 where: bonds (distance) C4'-P energy: -128.550 bonds (distance) P-C4' energy: -127.532 flat angles C4'-P-C4' energy: -148.587 flat angles P-C4'-P energy: -112.997 tors. eta vs tors. theta energy: -229.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2580.384326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.384326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.384326 (E_RNA) where: Base-Base interactions energy: -1824.424 where: short stacking energy: -738.568 Base-Backbone interact. energy: -0.268 local terms energy: -755.691588 where: bonds (distance) C4'-P energy: -135.003 bonds (distance) P-C4' energy: -130.876 flat angles C4'-P-C4' energy: -156.277 flat angles P-C4'-P energy: -102.987 tors. eta vs tors. theta energy: -230.548 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: 299 Temperature: 1.000000 Total energy: -2544.379645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.379645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.379645 (E_RNA) where: Base-Base interactions energy: -1798.806 where: short stacking energy: -745.034 Base-Backbone interact. energy: -2.163 local terms energy: -743.410968 where: bonds (distance) C4'-P energy: -136.161 bonds (distance) P-C4' energy: -130.617 flat angles C4'-P-C4' energy: -151.883 flat angles P-C4'-P energy: -99.363 tors. eta vs tors. theta energy: -225.388 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: 4, replica: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2428.458118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.458118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.458118 (E_RNA) where: Base-Base interactions energy: -1737.130 where: short stacking energy: -714.224 Base-Backbone interact. energy: -1.142 local terms energy: -690.186619 where: bonds (distance) C4'-P energy: -111.045 bonds (distance) P-C4' energy: -127.881 flat angles C4'-P-C4' energy: -139.795 flat angles P-C4'-P energy: -94.812 tors. eta vs tors. theta energy: -216.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2370.113802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.113802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.113802 (E_RNA) where: Base-Base interactions energy: -1694.746 where: short stacking energy: -698.149 Base-Backbone interact. energy: -1.479 local terms energy: -673.888923 where: bonds (distance) C4'-P energy: -126.569 bonds (distance) P-C4' energy: -116.557 flat angles C4'-P-C4' energy: -134.513 flat angles P-C4'-P energy: -96.705 tors. eta vs tors. theta energy: -199.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2207.790613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.790613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.790613 (E_RNA) where: Base-Base interactions energy: -1567.821 where: short stacking energy: -649.776 Base-Backbone interact. energy: 3.091 local terms energy: -643.060112 where: bonds (distance) C4'-P energy: -106.288 bonds (distance) P-C4' energy: -103.467 flat angles C4'-P-C4' energy: -150.089 flat angles P-C4'-P energy: -87.252 tors. eta vs tors. theta energy: -195.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2092.155036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.155036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.155036 (E_RNA) where: Base-Base interactions energy: -1503.755 where: short stacking energy: -636.647 Base-Backbone interact. energy: 5.014 local terms energy: -593.414293 where: bonds (distance) C4'-P energy: -98.607 bonds (distance) P-C4' energy: -112.418 flat angles C4'-P-C4' energy: -130.261 flat angles P-C4'-P energy: -65.857 tors. eta vs tors. theta energy: -186.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -2063.537059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.537059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.537059 (E_RNA) where: Base-Base interactions energy: -1482.092 where: short stacking energy: -610.232 Base-Backbone interact. energy: 4.377 local terms energy: -585.822095 where: bonds (distance) C4'-P energy: -112.820 bonds (distance) P-C4' energy: -86.683 flat angles C4'-P-C4' energy: -135.238 flat angles P-C4'-P energy: -74.639 tors. eta vs tors. theta energy: -176.443 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: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1385.972769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.972769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.972769 (E_RNA) where: Base-Base interactions energy: -868.431 where: short stacking energy: -380.682 Base-Backbone interact. energy: 2.368 local terms energy: -519.910229 where: bonds (distance) C4'-P energy: -119.996 bonds (distance) P-C4' energy: -120.507 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -77.995 tors. eta vs tors. theta energy: -86.140 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: 10, replica: 6 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -951.691897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.691897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.691897 (E_RNA) where: Base-Base interactions energy: -563.590 where: short stacking energy: -276.770 Base-Backbone interact. energy: -5.027 local terms energy: -383.075055 where: bonds (distance) C4'-P energy: -99.797 bonds (distance) P-C4' energy: -106.484 flat angles C4'-P-C4' energy: -99.362 flat angles P-C4'-P energy: -46.899 tors. eta vs tors. theta energy: -30.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2708.375845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.375845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.375845 (E_RNA) where: Base-Base interactions energy: -1954.612 where: short stacking energy: -770.147 Base-Backbone interact. energy: 0.464 local terms energy: -754.227356 where: bonds (distance) C4'-P energy: -127.476 bonds (distance) P-C4' energy: -129.475 flat angles C4'-P-C4' energy: -158.819 flat angles P-C4'-P energy: -106.465 tors. eta vs tors. theta energy: -231.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2557.157521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.157521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.157521 (E_RNA) where: Base-Base interactions energy: -1812.282 where: short stacking energy: -740.380 Base-Backbone interact. energy: -0.052 local terms energy: -744.823140 where: bonds (distance) C4'-P energy: -128.157 bonds (distance) P-C4' energy: -124.750 flat angles C4'-P-C4' energy: -151.363 flat angles P-C4'-P energy: -112.084 tors. eta vs tors. theta energy: -228.470 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: 300 Temperature: 1.000000 Total energy: -2515.683738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.683738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.683738 (E_RNA) where: Base-Base interactions energy: -1778.030 where: short stacking energy: -721.329 Base-Backbone interact. energy: -3.331 local terms energy: -734.322598 where: bonds (distance) C4'-P energy: -130.163 bonds (distance) P-C4' energy: -132.614 flat angles C4'-P-C4' energy: -159.075 flat angles P-C4'-P energy: -101.513 tors. eta vs tors. theta energy: -210.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2487.031668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.031668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.031668 (E_RNA) where: Base-Base interactions energy: -1765.508 where: short stacking energy: -715.924 Base-Backbone interact. energy: 0.270 local terms energy: -721.794567 where: bonds (distance) C4'-P energy: -107.762 bonds (distance) P-C4' energy: -129.680 flat angles C4'-P-C4' energy: -143.424 flat angles P-C4'-P energy: -107.971 tors. eta vs tors. theta energy: -232.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2389.082762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.082762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.082762 (E_RNA) where: Base-Base interactions energy: -1688.062 where: short stacking energy: -697.034 Base-Backbone interact. energy: 0.668 local terms energy: -701.688205 where: bonds (distance) C4'-P energy: -116.652 bonds (distance) P-C4' energy: -124.536 flat angles C4'-P-C4' energy: -148.585 flat angles P-C4'-P energy: -107.051 tors. eta vs tors. theta energy: -204.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2215.817004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.817004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.817004 (E_RNA) where: Base-Base interactions energy: -1574.957 where: short stacking energy: -638.828 Base-Backbone interact. energy: -1.655 local terms energy: -639.204182 where: bonds (distance) C4'-P energy: -110.404 bonds (distance) P-C4' energy: -95.387 flat angles C4'-P-C4' energy: -133.833 flat angles P-C4'-P energy: -95.650 tors. eta vs tors. theta energy: -203.930 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: 3 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2120.329562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.329562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.329562 (E_RNA) where: Base-Base interactions energy: -1490.379 where: short stacking energy: -602.412 Base-Backbone interact. energy: -1.012 local terms energy: -628.938004 where: bonds (distance) C4'-P energy: -110.615 bonds (distance) P-C4' energy: -112.922 flat angles C4'-P-C4' energy: -141.859 flat angles P-C4'-P energy: -85.276 tors. eta vs tors. theta energy: -178.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -2047.461984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.461984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.461984 (E_RNA) where: Base-Base interactions energy: -1438.753 where: short stacking energy: -615.580 Base-Backbone interact. energy: -2.317 local terms energy: -606.392396 where: bonds (distance) C4'-P energy: -111.550 bonds (distance) P-C4' energy: -99.109 flat angles C4'-P-C4' energy: -133.069 flat angles P-C4'-P energy: -82.948 tors. eta vs tors. theta energy: -179.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1427.134986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.134986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.134986 (E_RNA) where: Base-Base interactions energy: -924.757 where: short stacking energy: -414.764 Base-Backbone interact. energy: 2.963 local terms energy: -505.341051 where: bonds (distance) C4'-P energy: -120.631 bonds (distance) P-C4' energy: -103.603 flat angles C4'-P-C4' energy: -98.863 flat angles P-C4'-P energy: -80.582 tors. eta vs tors. theta energy: -101.663 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: 10, replica: 6 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -929.241505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.241505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.241505 (E_RNA) where: Base-Base interactions energy: -524.363 where: short stacking energy: -248.571 Base-Backbone interact. energy: 0.671 local terms energy: -405.550262 where: bonds (distance) C4'-P energy: -101.330 bonds (distance) P-C4' energy: -116.944 flat angles C4'-P-C4' energy: -108.644 flat angles P-C4'-P energy: -52.301 tors. eta vs tors. theta energy: -26.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2691.542925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.542925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.542925 (E_RNA) where: Base-Base interactions energy: -1910.095 where: short stacking energy: -751.866 Base-Backbone interact. energy: 0.127 local terms energy: -781.575068 where: bonds (distance) C4'-P energy: -138.578 bonds (distance) P-C4' energy: -133.072 flat angles C4'-P-C4' energy: -162.962 flat angles P-C4'-P energy: -112.534 tors. eta vs tors. theta energy: -234.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2576.823706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.823706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.823706 (E_RNA) where: Base-Base interactions energy: -1832.622 where: short stacking energy: -741.368 Base-Backbone interact. energy: -1.874 local terms energy: -742.327178 where: bonds (distance) C4'-P energy: -136.084 bonds (distance) P-C4' energy: -131.035 flat angles C4'-P-C4' energy: -152.821 flat angles P-C4'-P energy: -106.769 tors. eta vs tors. theta energy: -215.618 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: 301 Temperature: 1.000000 Total energy: -2521.990542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.990542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.990542 (E_RNA) where: Base-Base interactions energy: -1789.162 where: short stacking energy: -731.813 Base-Backbone interact. energy: -0.229 local terms energy: -732.599380 where: bonds (distance) C4'-P energy: -125.826 bonds (distance) P-C4' energy: -132.278 flat angles C4'-P-C4' energy: -144.757 flat angles P-C4'-P energy: -98.069 tors. eta vs tors. theta energy: -231.669 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: 301 Temperature: 1.050000 Total energy: -2399.910906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.910906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.910906 (E_RNA) where: Base-Base interactions energy: -1707.638 where: short stacking energy: -690.626 Base-Backbone interact. energy: -2.953 local terms energy: -689.320564 where: bonds (distance) C4'-P energy: -114.472 bonds (distance) P-C4' energy: -118.091 flat angles C4'-P-C4' energy: -149.014 flat angles P-C4'-P energy: -107.853 tors. eta vs tors. theta energy: -199.890 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: 5, replica: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2465.637876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.637876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.637876 (E_RNA) where: Base-Base interactions energy: -1761.486 where: short stacking energy: -726.164 Base-Backbone interact. energy: -2.588 local terms energy: -701.564225 where: bonds (distance) C4'-P energy: -118.616 bonds (distance) P-C4' energy: -109.963 flat angles C4'-P-C4' energy: -148.965 flat angles P-C4'-P energy: -94.506 tors. eta vs tors. theta energy: -229.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2216.724233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.724233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.724233 (E_RNA) where: Base-Base interactions energy: -1548.569 where: short stacking energy: -658.419 Base-Backbone interact. energy: 1.546 local terms energy: -669.702100 where: bonds (distance) C4'-P energy: -130.269 bonds (distance) P-C4' energy: -124.441 flat angles C4'-P-C4' energy: -137.296 flat angles P-C4'-P energy: -79.085 tors. eta vs tors. theta energy: -198.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2181.238444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.238444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.238444 (E_RNA) where: Base-Base interactions energy: -1518.633 where: short stacking energy: -641.299 Base-Backbone interact. energy: 0.603 local terms energy: -663.208130 where: bonds (distance) C4'-P energy: -116.384 bonds (distance) P-C4' energy: -131.204 flat angles C4'-P-C4' energy: -136.737 flat angles P-C4'-P energy: -86.500 tors. eta vs tors. theta energy: -192.384 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: 5 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1899.395009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.395009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.395009 (E_RNA) where: Base-Base interactions energy: -1308.437 where: short stacking energy: -513.800 Base-Backbone interact. energy: 1.680 local terms energy: -592.638516 where: bonds (distance) C4'-P energy: -117.404 bonds (distance) P-C4' energy: -120.068 flat angles C4'-P-C4' energy: -126.444 flat angles P-C4'-P energy: -78.300 tors. eta vs tors. theta energy: -150.423 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: 7 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1368.071100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.071100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.071100 (E_RNA) where: Base-Base interactions energy: -874.977 where: short stacking energy: -411.190 Base-Backbone interact. energy: -0.104 local terms energy: -492.989815 where: bonds (distance) C4'-P energy: -122.676 bonds (distance) P-C4' energy: -103.784 flat angles C4'-P-C4' energy: -109.834 flat angles P-C4'-P energy: -70.222 tors. eta vs tors. theta energy: -86.473 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: 6 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -936.889560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.889560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.889560 (E_RNA) where: Base-Base interactions energy: -553.262 where: short stacking energy: -273.859 Base-Backbone interact. energy: 1.552 local terms energy: -385.179748 where: bonds (distance) C4'-P energy: -106.238 bonds (distance) P-C4' energy: -117.829 flat angles C4'-P-C4' energy: -93.448 flat angles P-C4'-P energy: -63.843 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2709.514365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.514365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.514365 (E_RNA) where: Base-Base interactions energy: -1950.072 where: short stacking energy: -746.806 Base-Backbone interact. energy: -1.431 local terms energy: -758.011215 where: bonds (distance) C4'-P energy: -120.651 bonds (distance) P-C4' energy: -140.503 flat angles C4'-P-C4' energy: -162.000 flat angles P-C4'-P energy: -104.365 tors. eta vs tors. theta energy: -230.492 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: 4 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2568.744888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.744888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.744888 (E_RNA) where: Base-Base interactions energy: -1822.324 where: short stacking energy: -760.171 Base-Backbone interact. energy: 1.927 local terms energy: -748.347445 where: bonds (distance) C4'-P energy: -141.701 bonds (distance) P-C4' energy: -130.166 flat angles C4'-P-C4' energy: -151.226 flat angles P-C4'-P energy: -107.535 tors. eta vs tors. theta energy: -217.720 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: 1 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2514.085738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.085738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.085738 (E_RNA) where: Base-Base interactions energy: -1775.065 where: short stacking energy: -726.565 Base-Backbone interact. energy: -2.321 local terms energy: -736.699861 where: bonds (distance) C4'-P energy: -132.577 bonds (distance) P-C4' energy: -124.337 flat angles C4'-P-C4' energy: -150.323 flat angles P-C4'-P energy: -108.883 tors. eta vs tors. theta energy: -220.581 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: 2 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2424.843869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.843869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.843869 (E_RNA) where: Base-Base interactions energy: -1713.344 where: short stacking energy: -708.876 Base-Backbone interact. energy: -1.875 local terms energy: -709.624941 where: bonds (distance) C4'-P energy: -120.893 bonds (distance) P-C4' energy: -123.313 flat angles C4'-P-C4' energy: -151.543 flat angles P-C4'-P energy: -102.181 tors. eta vs tors. theta energy: -211.695 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: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2432.168007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.168007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.168007 (E_RNA) where: Base-Base interactions energy: -1699.087 where: short stacking energy: -695.132 Base-Backbone interact. energy: -1.527 local terms energy: -731.553963 where: bonds (distance) C4'-P energy: -128.852 bonds (distance) P-C4' energy: -129.763 flat angles C4'-P-C4' energy: -140.447 flat angles P-C4'-P energy: -108.486 tors. eta vs tors. theta energy: -224.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2222.444706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.444706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.444706 (E_RNA) where: Base-Base interactions energy: -1554.108 where: short stacking energy: -637.208 Base-Backbone interact. energy: -0.003 local terms energy: -668.333566 where: bonds (distance) C4'-P energy: -106.493 bonds (distance) P-C4' energy: -112.529 flat angles C4'-P-C4' energy: -149.793 flat angles P-C4'-P energy: -108.938 tors. eta vs tors. theta energy: -190.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2162.295039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.295039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.295039 (E_RNA) where: Base-Base interactions energy: -1524.796 where: short stacking energy: -624.740 Base-Backbone interact. energy: 1.320 local terms energy: -638.818927 where: bonds (distance) C4'-P energy: -101.678 bonds (distance) P-C4' energy: -126.625 flat angles C4'-P-C4' energy: -137.445 flat angles P-C4'-P energy: -87.646 tors. eta vs tors. theta energy: -185.425 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: 8, replica: 5 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1893.030567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.030567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.030567 (E_RNA) where: Base-Base interactions energy: -1289.403 where: short stacking energy: -528.306 Base-Backbone interact. energy: -5.184 local terms energy: -598.443599 where: bonds (distance) C4'-P energy: -116.083 bonds (distance) P-C4' energy: -116.561 flat angles C4'-P-C4' energy: -130.499 flat angles P-C4'-P energy: -87.572 tors. eta vs tors. theta energy: -147.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1307.270857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.270857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.270857 (E_RNA) where: Base-Base interactions energy: -854.951 where: short stacking energy: -395.700 Base-Backbone interact. energy: -2.630 local terms energy: -449.689811 where: bonds (distance) C4'-P energy: -82.206 bonds (distance) P-C4' energy: -81.908 flat angles C4'-P-C4' energy: -132.023 flat angles P-C4'-P energy: -75.757 tors. eta vs tors. theta energy: -77.796 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: 6 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -939.396755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.396755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.396755 (E_RNA) where: Base-Base interactions energy: -549.259 where: short stacking energy: -267.456 Base-Backbone interact. energy: 1.780 local terms energy: -391.917851 where: bonds (distance) C4'-P energy: -92.693 bonds (distance) P-C4' energy: -113.574 flat angles C4'-P-C4' energy: -93.182 flat angles P-C4'-P energy: -66.109 tors. eta vs tors. theta energy: -26.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2685.112652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.112652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.112652 (E_RNA) where: Base-Base interactions energy: -1942.328 where: short stacking energy: -767.041 Base-Backbone interact. energy: -2.637 local terms energy: -740.148005 where: bonds (distance) C4'-P energy: -134.194 bonds (distance) P-C4' energy: -121.578 flat angles C4'-P-C4' energy: -163.215 flat angles P-C4'-P energy: -98.063 tors. eta vs tors. theta energy: -223.097 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: 2, replica: 1 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2588.698300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.698300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.698300 (E_RNA) where: Base-Base interactions energy: -1821.120 where: short stacking energy: -765.550 Base-Backbone interact. energy: -0.215 local terms energy: -767.363657 where: bonds (distance) C4'-P energy: -126.996 bonds (distance) P-C4' energy: -136.467 flat angles C4'-P-C4' energy: -155.034 flat angles P-C4'-P energy: -110.614 tors. eta vs tors. theta energy: -238.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2540.078835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.078835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.078835 (E_RNA) where: Base-Base interactions energy: -1821.240 where: short stacking energy: -728.256 Base-Backbone interact. energy: 3.267 local terms energy: -722.105565 where: bonds (distance) C4'-P energy: -129.891 bonds (distance) P-C4' energy: -141.000 flat angles C4'-P-C4' energy: -144.477 flat angles P-C4'-P energy: -94.997 tors. eta vs tors. theta energy: -211.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2446.093686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.093686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.093686 (E_RNA) where: Base-Base interactions energy: -1734.452 where: short stacking energy: -740.041 Base-Backbone interact. energy: -0.652 local terms energy: -710.989209 where: bonds (distance) C4'-P energy: -117.966 bonds (distance) P-C4' energy: -126.760 flat angles C4'-P-C4' energy: -144.785 flat angles P-C4'-P energy: -96.075 tors. eta vs tors. theta energy: -225.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2381.022517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.022517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.022517 (E_RNA) where: Base-Base interactions energy: -1691.042 where: short stacking energy: -705.514 Base-Backbone interact. energy: -1.731 local terms energy: -688.249593 where: bonds (distance) C4'-P energy: -119.696 bonds (distance) P-C4' energy: -106.913 flat angles C4'-P-C4' energy: -151.261 flat angles P-C4'-P energy: -102.008 tors. eta vs tors. theta energy: -208.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2261.239577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.239577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.239577 (E_RNA) where: Base-Base interactions energy: -1601.221 where: short stacking energy: -632.915 Base-Backbone interact. energy: -1.053 local terms energy: -658.965724 where: bonds (distance) C4'-P energy: -121.307 bonds (distance) P-C4' energy: -123.604 flat angles C4'-P-C4' energy: -131.758 flat angles P-C4'-P energy: -86.280 tors. eta vs tors. theta energy: -196.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2151.788212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.788212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.788212 (E_RNA) where: Base-Base interactions energy: -1520.606 where: short stacking energy: -641.497 Base-Backbone interact. energy: 0.996 local terms energy: -632.177862 where: bonds (distance) C4'-P energy: -107.462 bonds (distance) P-C4' energy: -117.387 flat angles C4'-P-C4' energy: -129.638 flat angles P-C4'-P energy: -91.096 tors. eta vs tors. theta energy: -186.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1864.316149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.316149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.316149 (E_RNA) where: Base-Base interactions energy: -1321.978 where: short stacking energy: -554.574 Base-Backbone interact. energy: 0.274 local terms energy: -542.612824 where: bonds (distance) C4'-P energy: -97.982 bonds (distance) P-C4' energy: -95.753 flat angles C4'-P-C4' energy: -126.924 flat angles P-C4'-P energy: -61.844 tors. eta vs tors. theta energy: -160.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1379.205884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.205884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.205884 (E_RNA) where: Base-Base interactions energy: -866.138 where: short stacking energy: -399.462 Base-Backbone interact. energy: 0.392 local terms energy: -513.459307 where: bonds (distance) C4'-P energy: -116.814 bonds (distance) P-C4' energy: -96.837 flat angles C4'-P-C4' energy: -125.721 flat angles P-C4'-P energy: -85.018 tors. eta vs tors. theta energy: -89.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -969.882458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.882458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.882458 (E_RNA) where: Base-Base interactions energy: -566.265 where: short stacking energy: -278.476 Base-Backbone interact. energy: 2.859 local terms energy: -406.476639 where: bonds (distance) C4'-P energy: -94.871 bonds (distance) P-C4' energy: -114.158 flat angles C4'-P-C4' energy: -102.234 flat angles P-C4'-P energy: -73.300 tors. eta vs tors. theta energy: -21.913 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: 1, replica: 8 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2686.630354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.630354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.630354 (E_RNA) where: Base-Base interactions energy: -1932.633 where: short stacking energy: -755.998 Base-Backbone interact. energy: -4.311 local terms energy: -749.685556 where: bonds (distance) C4'-P energy: -138.525 bonds (distance) P-C4' energy: -126.569 flat angles C4'-P-C4' energy: -150.813 flat angles P-C4'-P energy: -107.888 tors. eta vs tors. theta energy: -225.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2570.430504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.430504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.430504 (E_RNA) where: Base-Base interactions energy: -1801.424 where: short stacking energy: -759.279 Base-Backbone interact. energy: -2.098 local terms energy: -766.908880 where: bonds (distance) C4'-P energy: -132.059 bonds (distance) P-C4' energy: -114.489 flat angles C4'-P-C4' energy: -165.642 flat angles P-C4'-P energy: -116.521 tors. eta vs tors. theta energy: -238.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2503.374101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.374101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.374101 (E_RNA) where: Base-Base interactions energy: -1769.307 where: short stacking energy: -717.814 Base-Backbone interact. energy: -1.311 local terms energy: -732.755935 where: bonds (distance) C4'-P energy: -124.538 bonds (distance) P-C4' energy: -134.759 flat angles C4'-P-C4' energy: -151.368 flat angles P-C4'-P energy: -98.738 tors. eta vs tors. theta energy: -223.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2450.059088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.059088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.059088 (E_RNA) where: Base-Base interactions energy: -1735.501 where: short stacking energy: -712.278 Base-Backbone interact. energy: -2.384 local terms energy: -712.173905 where: bonds (distance) C4'-P energy: -117.582 bonds (distance) P-C4' energy: -118.977 flat angles C4'-P-C4' energy: -147.744 flat angles P-C4'-P energy: -108.435 tors. eta vs tors. theta energy: -219.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2406.609480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.609480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.609480 (E_RNA) where: Base-Base interactions energy: -1715.580 where: short stacking energy: -706.536 Base-Backbone interact. energy: -0.678 local terms energy: -690.351859 where: bonds (distance) C4'-P energy: -120.986 bonds (distance) P-C4' energy: -109.992 flat angles C4'-P-C4' energy: -157.297 flat angles P-C4'-P energy: -91.285 tors. eta vs tors. theta energy: -210.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2223.064134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.064134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.064134 (E_RNA) where: Base-Base interactions energy: -1573.193 where: short stacking energy: -663.130 Base-Backbone interact. energy: -0.760 local terms energy: -649.111647 where: bonds (distance) C4'-P energy: -117.947 bonds (distance) P-C4' energy: -114.318 flat angles C4'-P-C4' energy: -120.880 flat angles P-C4'-P energy: -98.021 tors. eta vs tors. theta energy: -197.946 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: 3 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2113.488300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.488300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.488300 (E_RNA) where: Base-Base interactions energy: -1519.529 where: short stacking energy: -598.917 Base-Backbone interact. energy: -0.921 local terms energy: -593.038068 where: bonds (distance) C4'-P energy: -105.715 bonds (distance) P-C4' energy: -117.437 flat angles C4'-P-C4' energy: -129.118 flat angles P-C4'-P energy: -77.281 tors. eta vs tors. theta energy: -163.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1809.477407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.477407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.477407 (E_RNA) where: Base-Base interactions energy: -1229.441 where: short stacking energy: -487.839 Base-Backbone interact. energy: -4.099 local terms energy: -575.936479 where: bonds (distance) C4'-P energy: -104.885 bonds (distance) P-C4' energy: -111.747 flat angles C4'-P-C4' energy: -126.756 flat angles P-C4'-P energy: -78.792 tors. eta vs tors. theta energy: -153.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1343.295618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.295618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.295618 (E_RNA) where: Base-Base interactions energy: -855.627 where: short stacking energy: -394.336 Base-Backbone interact. energy: -2.013 local terms energy: -485.655630 where: bonds (distance) C4'-P energy: -95.858 bonds (distance) P-C4' energy: -113.094 flat angles C4'-P-C4' energy: -126.641 flat angles P-C4'-P energy: -76.112 tors. eta vs tors. theta energy: -73.951 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: 6 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1028.742795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.742795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.742795 (E_RNA) where: Base-Base interactions energy: -641.112 where: short stacking energy: -294.171 Base-Backbone interact. energy: 8.171 local terms energy: -395.801953 where: bonds (distance) C4'-P energy: -103.347 bonds (distance) P-C4' energy: -119.150 flat angles C4'-P-C4' energy: -108.381 flat angles P-C4'-P energy: -46.857 tors. eta vs tors. theta energy: -18.067 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: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2677.950662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.950662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.950662 (E_RNA) where: Base-Base interactions energy: -1917.163 where: short stacking energy: -745.753 Base-Backbone interact. energy: 2.829 local terms energy: -763.616795 where: bonds (distance) C4'-P energy: -139.367 bonds (distance) P-C4' energy: -135.653 flat angles C4'-P-C4' energy: -165.215 flat angles P-C4'-P energy: -101.402 tors. eta vs tors. theta energy: -221.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2564.457301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.457301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.457301 (E_RNA) where: Base-Base interactions energy: -1827.508 where: short stacking energy: -735.435 Base-Backbone interact. energy: -2.632 local terms energy: -734.317408 where: bonds (distance) C4'-P energy: -127.092 bonds (distance) P-C4' energy: -137.900 flat angles C4'-P-C4' energy: -142.590 flat angles P-C4'-P energy: -104.731 tors. eta vs tors. theta energy: -222.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2531.820448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.820448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.820448 (E_RNA) where: Base-Base interactions energy: -1776.083 where: short stacking energy: -730.472 Base-Backbone interact. energy: -1.618 local terms energy: -754.119289 where: bonds (distance) C4'-P energy: -125.918 bonds (distance) P-C4' energy: -123.942 flat angles C4'-P-C4' energy: -160.311 flat angles P-C4'-P energy: -111.622 tors. eta vs tors. theta energy: -232.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2433.167403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.167403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.167403 (E_RNA) where: Base-Base interactions energy: -1716.844 where: short stacking energy: -708.997 Base-Backbone interact. energy: -3.294 local terms energy: -713.029277 where: bonds (distance) C4'-P energy: -119.883 bonds (distance) P-C4' energy: -132.447 flat angles C4'-P-C4' energy: -152.510 flat angles P-C4'-P energy: -96.150 tors. eta vs tors. theta energy: -212.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2375.918516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.918516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.918516 (E_RNA) where: Base-Base interactions energy: -1692.121 where: short stacking energy: -695.859 Base-Backbone interact. energy: -1.591 local terms energy: -682.206744 where: bonds (distance) C4'-P energy: -120.830 bonds (distance) P-C4' energy: -113.032 flat angles C4'-P-C4' energy: -147.947 flat angles P-C4'-P energy: -79.996 tors. eta vs tors. theta energy: -220.402 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: 305 Temperature: 1.150000 Total energy: -2235.305681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.305681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.305681 (E_RNA) where: Base-Base interactions energy: -1602.831 where: short stacking energy: -651.752 Base-Backbone interact. energy: 0.570 local terms energy: -633.044765 where: bonds (distance) C4'-P energy: -120.671 bonds (distance) P-C4' energy: -111.589 flat angles C4'-P-C4' energy: -125.819 flat angles P-C4'-P energy: -91.588 tors. eta vs tors. theta energy: -183.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2103.116462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.116462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.116462 (E_RNA) where: Base-Base interactions energy: -1474.365 where: short stacking energy: -616.874 Base-Backbone interact. energy: -2.100 local terms energy: -626.652095 where: bonds (distance) C4'-P energy: -101.688 bonds (distance) P-C4' energy: -116.432 flat angles C4'-P-C4' energy: -131.776 flat angles P-C4'-P energy: -84.960 tors. eta vs tors. theta energy: -191.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1841.437335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.437335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.437335 (E_RNA) where: Base-Base interactions energy: -1278.711 where: short stacking energy: -543.042 Base-Backbone interact. energy: -0.868 local terms energy: -561.858603 where: bonds (distance) C4'-P energy: -106.599 bonds (distance) P-C4' energy: -120.734 flat angles C4'-P-C4' energy: -121.934 flat angles P-C4'-P energy: -69.570 tors. eta vs tors. theta energy: -143.022 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: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1213.223860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.223860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.223860 (E_RNA) where: Base-Base interactions energy: -765.036 where: short stacking energy: -334.194 Base-Backbone interact. energy: -1.740 local terms energy: -446.447355 where: bonds (distance) C4'-P energy: -83.325 bonds (distance) P-C4' energy: -107.254 flat angles C4'-P-C4' energy: -123.386 flat angles P-C4'-P energy: -72.637 tors. eta vs tors. theta energy: -59.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -966.244665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.244665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.244665 (E_RNA) where: Base-Base interactions energy: -573.727 where: short stacking energy: -259.280 Base-Backbone interact. energy: 4.023 local terms energy: -396.539852 where: bonds (distance) C4'-P energy: -99.089 bonds (distance) P-C4' energy: -97.351 flat angles C4'-P-C4' energy: -114.679 flat angles P-C4'-P energy: -73.018 tors. eta vs tors. theta energy: -12.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2684.403332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.403332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.403332 (E_RNA) where: Base-Base interactions energy: -1941.691 where: short stacking energy: -754.065 Base-Backbone interact. energy: -2.949 local terms energy: -739.762892 where: bonds (distance) C4'-P energy: -113.090 bonds (distance) P-C4' energy: -134.117 flat angles C4'-P-C4' energy: -165.615 flat angles P-C4'-P energy: -99.889 tors. eta vs tors. theta energy: -227.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2553.537097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.537097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.537097 (E_RNA) where: Base-Base interactions energy: -1810.711 where: short stacking energy: -742.896 Base-Backbone interact. energy: 0.581 local terms energy: -743.407489 where: bonds (distance) C4'-P energy: -130.383 bonds (distance) P-C4' energy: -125.084 flat angles C4'-P-C4' energy: -156.281 flat angles P-C4'-P energy: -111.456 tors. eta vs tors. theta energy: -220.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2539.046932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.046932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.046932 (E_RNA) where: Base-Base interactions energy: -1807.198 where: short stacking energy: -740.812 Base-Backbone interact. energy: -2.231 local terms energy: -729.618346 where: bonds (distance) C4'-P energy: -120.370 bonds (distance) P-C4' energy: -133.936 flat angles C4'-P-C4' energy: -152.064 flat angles P-C4'-P energy: -94.258 tors. eta vs tors. theta energy: -228.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2453.775212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.775212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.775212 (E_RNA) where: Base-Base interactions energy: -1743.185 where: short stacking energy: -711.342 Base-Backbone interact. energy: -0.046 local terms energy: -710.544136 where: bonds (distance) C4'-P energy: -133.954 bonds (distance) P-C4' energy: -118.263 flat angles C4'-P-C4' energy: -143.279 flat angles P-C4'-P energy: -95.692 tors. eta vs tors. theta energy: -219.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2408.118834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.118834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.118834 (E_RNA) where: Base-Base interactions energy: -1725.567 where: short stacking energy: -715.907 Base-Backbone interact. energy: -1.310 local terms energy: -681.241550 where: bonds (distance) C4'-P energy: -121.808 bonds (distance) P-C4' energy: -114.776 flat angles C4'-P-C4' energy: -142.878 flat angles P-C4'-P energy: -84.158 tors. eta vs tors. theta energy: -217.621 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: 306 Temperature: 1.150000 Total energy: -2214.195699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.195699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.195699 (E_RNA) where: Base-Base interactions energy: -1560.879 where: short stacking energy: -643.155 Base-Backbone interact. energy: -1.398 local terms energy: -651.918432 where: bonds (distance) C4'-P energy: -103.468 bonds (distance) P-C4' energy: -111.944 flat angles C4'-P-C4' energy: -151.052 flat angles P-C4'-P energy: -91.446 tors. eta vs tors. theta energy: -194.009 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: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2131.547425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.547425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.547425 (E_RNA) where: Base-Base interactions energy: -1496.552 where: short stacking energy: -608.896 Base-Backbone interact. energy: -0.531 local terms energy: -634.464705 where: bonds (distance) C4'-P energy: -120.319 bonds (distance) P-C4' energy: -115.201 flat angles C4'-P-C4' energy: -138.826 flat angles P-C4'-P energy: -82.916 tors. eta vs tors. theta energy: -177.203 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: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1839.204262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.204262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.204262 (E_RNA) where: Base-Base interactions energy: -1268.366 where: short stacking energy: -534.212 Base-Backbone interact. energy: -2.600 local terms energy: -568.237870 where: bonds (distance) C4'-P energy: -94.319 bonds (distance) P-C4' energy: -114.845 flat angles C4'-P-C4' energy: -126.958 flat angles P-C4'-P energy: -87.636 tors. eta vs tors. theta energy: -144.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1268.659146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.659146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.659146 (E_RNA) where: Base-Base interactions energy: -820.713 where: short stacking energy: -380.460 Base-Backbone interact. energy: 3.170 local terms energy: -451.116436 where: bonds (distance) C4'-P energy: -100.528 bonds (distance) P-C4' energy: -103.222 flat angles C4'-P-C4' energy: -100.219 flat angles P-C4'-P energy: -67.167 tors. eta vs tors. theta energy: -79.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -965.703495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.703495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.703495 (E_RNA) where: Base-Base interactions energy: -585.669 where: short stacking energy: -285.483 Base-Backbone interact. energy: 1.472 local terms energy: -381.506579 where: bonds (distance) C4'-P energy: -79.149 bonds (distance) P-C4' energy: -126.688 flat angles C4'-P-C4' energy: -108.383 flat angles P-C4'-P energy: -36.466 tors. eta vs tors. theta energy: -30.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2718.513265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.513265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.513265 (E_RNA) where: Base-Base interactions energy: -1953.140 where: short stacking energy: -760.204 Base-Backbone interact. energy: -0.871 local terms energy: -764.501583 where: bonds (distance) C4'-P energy: -131.776 bonds (distance) P-C4' energy: -133.534 flat angles C4'-P-C4' energy: -157.878 flat angles P-C4'-P energy: -109.362 tors. eta vs tors. theta energy: -231.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2576.550830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.550830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.550830 (E_RNA) where: Base-Base interactions energy: -1839.335 where: short stacking energy: -737.509 Base-Backbone interact. energy: 1.401 local terms energy: -738.617368 where: bonds (distance) C4'-P energy: -135.772 bonds (distance) P-C4' energy: -110.827 flat angles C4'-P-C4' energy: -162.439 flat angles P-C4'-P energy: -106.164 tors. eta vs tors. theta energy: -223.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2548.620531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.620531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.620531 (E_RNA) where: Base-Base interactions energy: -1792.338 where: short stacking energy: -740.750 Base-Backbone interact. energy: -1.434 local terms energy: -754.849285 where: bonds (distance) C4'-P energy: -124.686 bonds (distance) P-C4' energy: -136.409 flat angles C4'-P-C4' energy: -156.841 flat angles P-C4'-P energy: -113.654 tors. eta vs tors. theta energy: -223.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2471.369599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.369599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.369599 (E_RNA) where: Base-Base interactions energy: -1731.098 where: short stacking energy: -730.218 Base-Backbone interact. energy: -2.786 local terms energy: -737.485699 where: bonds (distance) C4'-P energy: -122.489 bonds (distance) P-C4' energy: -122.582 flat angles C4'-P-C4' energy: -156.141 flat angles P-C4'-P energy: -110.992 tors. eta vs tors. theta energy: -225.281 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: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2393.190545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.190545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.190545 (E_RNA) where: Base-Base interactions energy: -1728.154 where: short stacking energy: -713.890 Base-Backbone interact. energy: -0.253 local terms energy: -664.783582 where: bonds (distance) C4'-P energy: -112.066 bonds (distance) P-C4' energy: -122.901 flat angles C4'-P-C4' energy: -138.896 flat angles P-C4'-P energy: -70.013 tors. eta vs tors. theta energy: -220.908 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: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2202.317723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.317723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.317723 (E_RNA) where: Base-Base interactions energy: -1528.522 where: short stacking energy: -631.952 Base-Backbone interact. energy: -0.686 local terms energy: -673.109801 where: bonds (distance) C4'-P energy: -127.888 bonds (distance) P-C4' energy: -128.608 flat angles C4'-P-C4' energy: -126.565 flat angles P-C4'-P energy: -103.049 tors. eta vs tors. theta energy: -186.999 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: 3 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2100.877709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.877709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.877709 (E_RNA) where: Base-Base interactions energy: -1496.992 where: short stacking energy: -593.622 Base-Backbone interact. energy: -2.975 local terms energy: -600.910227 where: bonds (distance) C4'-P energy: -104.132 bonds (distance) P-C4' energy: -115.841 flat angles C4'-P-C4' energy: -133.321 flat angles P-C4'-P energy: -78.248 tors. eta vs tors. theta energy: -169.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1898.625886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.625886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.625886 (E_RNA) where: Base-Base interactions energy: -1331.975 where: short stacking energy: -545.790 Base-Backbone interact. energy: -2.959 local terms energy: -563.691118 where: bonds (distance) C4'-P energy: -94.341 bonds (distance) P-C4' energy: -114.447 flat angles C4'-P-C4' energy: -128.262 flat angles P-C4'-P energy: -80.758 tors. eta vs tors. theta energy: -145.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1303.705506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.705506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.705506 (E_RNA) where: Base-Base interactions energy: -823.661 where: short stacking energy: -353.723 Base-Backbone interact. energy: -2.059 local terms energy: -477.985819 where: bonds (distance) C4'-P energy: -106.213 bonds (distance) P-C4' energy: -115.115 flat angles C4'-P-C4' energy: -110.641 flat angles P-C4'-P energy: -74.784 tors. eta vs tors. theta energy: -71.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -928.940448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.940448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.940448 (E_RNA) where: Base-Base interactions energy: -514.261 where: short stacking energy: -250.857 Base-Backbone interact. energy: 8.711 local terms energy: -423.389749 where: bonds (distance) C4'-P energy: -119.375 bonds (distance) P-C4' energy: -111.650 flat angles C4'-P-C4' energy: -95.228 flat angles P-C4'-P energy: -72.288 tors. eta vs tors. theta energy: -24.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2693.805116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.805116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.805116 (E_RNA) where: Base-Base interactions energy: -1927.530 where: short stacking energy: -768.451 Base-Backbone interact. energy: -3.174 local terms energy: -763.101004 where: bonds (distance) C4'-P energy: -136.637 bonds (distance) P-C4' energy: -136.795 flat angles C4'-P-C4' energy: -149.912 flat angles P-C4'-P energy: -115.311 tors. eta vs tors. theta energy: -224.446 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: 4 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2590.868821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.868821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.868821 (E_RNA) where: Base-Base interactions energy: -1834.602 where: short stacking energy: -744.719 Base-Backbone interact. energy: -3.020 local terms energy: -753.247483 where: bonds (distance) C4'-P energy: -139.084 bonds (distance) P-C4' energy: -128.881 flat angles C4'-P-C4' energy: -154.504 flat angles P-C4'-P energy: -108.601 tors. eta vs tors. theta energy: -222.178 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: 1 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2559.995214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.995214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.995214 (E_RNA) where: Base-Base interactions energy: -1817.574 where: short stacking energy: -728.035 Base-Backbone interact. energy: -1.276 local terms energy: -741.145269 where: bonds (distance) C4'-P energy: -128.115 bonds (distance) P-C4' energy: -126.383 flat angles C4'-P-C4' energy: -151.579 flat angles P-C4'-P energy: -103.103 tors. eta vs tors. theta energy: -231.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2464.940283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.940283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.940283 (E_RNA) where: Base-Base interactions energy: -1757.784 where: short stacking energy: -717.440 Base-Backbone interact. energy: -2.070 local terms energy: -705.086336 where: bonds (distance) C4'-P energy: -122.583 bonds (distance) P-C4' energy: -127.792 flat angles C4'-P-C4' energy: -144.931 flat angles P-C4'-P energy: -91.972 tors. eta vs tors. theta energy: -217.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2395.671829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.671829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.671829 (E_RNA) where: Base-Base interactions energy: -1699.752 where: short stacking energy: -681.680 Base-Backbone interact. energy: -2.743 local terms energy: -693.176721 where: bonds (distance) C4'-P energy: -109.352 bonds (distance) P-C4' energy: -129.224 flat angles C4'-P-C4' energy: -146.686 flat angles P-C4'-P energy: -87.663 tors. eta vs tors. theta energy: -220.252 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: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2208.208945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.208945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.208945 (E_RNA) where: Base-Base interactions energy: -1536.722 where: short stacking energy: -633.689 Base-Backbone interact. energy: 0.192 local terms energy: -671.678713 where: bonds (distance) C4'-P energy: -117.941 bonds (distance) P-C4' energy: -130.567 flat angles C4'-P-C4' energy: -132.002 flat angles P-C4'-P energy: -95.751 tors. eta vs tors. theta energy: -195.417 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: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2102.644320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.644320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.644320 (E_RNA) where: Base-Base interactions energy: -1480.292 where: short stacking energy: -615.564 Base-Backbone interact. energy: 1.174 local terms energy: -623.526544 where: bonds (distance) C4'-P energy: -104.163 bonds (distance) P-C4' energy: -113.994 flat angles C4'-P-C4' energy: -126.603 flat angles P-C4'-P energy: -99.535 tors. eta vs tors. theta energy: -179.232 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: 308 Temperature: 1.250000 Total energy: -1791.344558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.344558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.344558 (E_RNA) where: Base-Base interactions energy: -1226.709 where: short stacking energy: -521.701 Base-Backbone interact. energy: -2.474 local terms energy: -562.161570 where: bonds (distance) C4'-P energy: -107.318 bonds (distance) P-C4' energy: -123.819 flat angles C4'-P-C4' energy: -132.453 flat angles P-C4'-P energy: -68.086 tors. eta vs tors. theta energy: -130.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1300.181569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.181569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.181569 (E_RNA) where: Base-Base interactions energy: -860.725 where: short stacking energy: -385.960 Base-Backbone interact. energy: 0.726 local terms energy: -440.182511 where: bonds (distance) C4'-P energy: -95.693 bonds (distance) P-C4' energy: -84.892 flat angles C4'-P-C4' energy: -113.813 flat angles P-C4'-P energy: -73.802 tors. eta vs tors. theta energy: -71.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -898.061225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.061225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.061225 (E_RNA) where: Base-Base interactions energy: -532.418 where: short stacking energy: -259.866 Base-Backbone interact. energy: 6.271 local terms energy: -371.914138 where: bonds (distance) C4'-P energy: -103.294 bonds (distance) P-C4' energy: -82.690 flat angles C4'-P-C4' energy: -99.210 flat angles P-C4'-P energy: -58.854 tors. eta vs tors. theta energy: -27.867 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: 8 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2724.883793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.883793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.883793 (E_RNA) where: Base-Base interactions energy: -1968.479 where: short stacking energy: -785.854 Base-Backbone interact. energy: -1.886 local terms energy: -754.518883 where: bonds (distance) C4'-P energy: -131.514 bonds (distance) P-C4' energy: -126.703 flat angles C4'-P-C4' energy: -159.098 flat angles P-C4'-P energy: -110.687 tors. eta vs tors. theta energy: -226.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2582.660197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.660197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.660197 (E_RNA) where: Base-Base interactions energy: -1824.294 where: short stacking energy: -745.708 Base-Backbone interact. energy: -3.124 local terms energy: -755.241764 where: bonds (distance) C4'-P energy: -130.906 bonds (distance) P-C4' energy: -136.170 flat angles C4'-P-C4' energy: -146.748 flat angles P-C4'-P energy: -114.913 tors. eta vs tors. theta energy: -226.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2569.257995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.257995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.257995 (E_RNA) where: Base-Base interactions energy: -1818.396 where: short stacking energy: -712.485 Base-Backbone interact. energy: -1.300 local terms energy: -749.562823 where: bonds (distance) C4'-P energy: -123.477 bonds (distance) P-C4' energy: -134.552 flat angles C4'-P-C4' energy: -153.481 flat angles P-C4'-P energy: -116.587 tors. eta vs tors. theta energy: -221.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2482.617880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.617880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.617880 (E_RNA) where: Base-Base interactions energy: -1752.243 where: short stacking energy: -702.323 Base-Backbone interact. energy: 0.483 local terms energy: -730.857628 where: bonds (distance) C4'-P energy: -133.107 bonds (distance) P-C4' energy: -124.940 flat angles C4'-P-C4' energy: -145.276 flat angles P-C4'-P energy: -107.734 tors. eta vs tors. theta energy: -219.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2392.735091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.735091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.735091 (E_RNA) where: Base-Base interactions energy: -1704.396 where: short stacking energy: -684.174 Base-Backbone interact. energy: -1.287 local terms energy: -687.052221 where: bonds (distance) C4'-P energy: -117.349 bonds (distance) P-C4' energy: -125.595 flat angles C4'-P-C4' energy: -152.413 flat angles P-C4'-P energy: -82.891 tors. eta vs tors. theta energy: -208.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2232.570148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.570148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.570148 (E_RNA) where: Base-Base interactions energy: -1578.468 where: short stacking energy: -645.965 Base-Backbone interact. energy: -0.923 local terms energy: -653.179934 where: bonds (distance) C4'-P energy: -112.160 bonds (distance) P-C4' energy: -114.453 flat angles C4'-P-C4' energy: -145.237 flat angles P-C4'-P energy: -85.943 tors. eta vs tors. theta energy: -195.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2101.580170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.580170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.580170 (E_RNA) where: Base-Base interactions energy: -1488.512 where: short stacking energy: -632.877 Base-Backbone interact. energy: 2.307 local terms energy: -615.375581 where: bonds (distance) C4'-P energy: -94.947 bonds (distance) P-C4' energy: -121.025 flat angles C4'-P-C4' energy: -129.737 flat angles P-C4'-P energy: -82.145 tors. eta vs tors. theta energy: -187.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1794.707627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.707627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.707627 (E_RNA) where: Base-Base interactions energy: -1228.475 where: short stacking energy: -514.032 Base-Backbone interact. energy: -1.123 local terms energy: -565.109096 where: bonds (distance) C4'-P energy: -97.017 bonds (distance) P-C4' energy: -122.682 flat angles C4'-P-C4' energy: -130.830 flat angles P-C4'-P energy: -78.720 tors. eta vs tors. theta energy: -135.860 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: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1320.595971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.595971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.595971 (E_RNA) where: Base-Base interactions energy: -868.885 where: short stacking energy: -361.824 Base-Backbone interact. energy: -2.319 local terms energy: -449.391757 where: bonds (distance) C4'-P energy: -107.716 bonds (distance) P-C4' energy: -112.932 flat angles C4'-P-C4' energy: -117.941 flat angles P-C4'-P energy: -48.367 tors. eta vs tors. theta energy: -62.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -900.180307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.180307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.180307 (E_RNA) where: Base-Base interactions energy: -531.123 where: short stacking energy: -273.372 Base-Backbone interact. energy: -0.804 local terms energy: -368.252895 where: bonds (distance) C4'-P energy: -103.698 bonds (distance) P-C4' energy: -99.995 flat angles C4'-P-C4' energy: -88.114 flat angles P-C4'-P energy: -43.343 tors. eta vs tors. theta energy: -33.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2714.872947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.872947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.872947 (E_RNA) where: Base-Base interactions energy: -1944.861 where: short stacking energy: -763.583 Base-Backbone interact. energy: -7.073 local terms energy: -762.938810 where: bonds (distance) C4'-P energy: -115.314 bonds (distance) P-C4' energy: -138.393 flat angles C4'-P-C4' energy: -164.603 flat angles P-C4'-P energy: -114.543 tors. eta vs tors. theta energy: -230.086 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: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2604.753416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.753416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.753416 (E_RNA) where: Base-Base interactions energy: -1850.774 where: short stacking energy: -771.391 Base-Backbone interact. energy: -1.997 local terms energy: -751.982460 where: bonds (distance) C4'-P energy: -134.092 bonds (distance) P-C4' energy: -131.839 flat angles C4'-P-C4' energy: -154.739 flat angles P-C4'-P energy: -93.419 tors. eta vs tors. theta energy: -237.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2507.663330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.663330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.663330 (E_RNA) where: Base-Base interactions energy: -1782.850 where: short stacking energy: -721.148 Base-Backbone interact. energy: -0.938 local terms energy: -723.875692 where: bonds (distance) C4'-P energy: -123.278 bonds (distance) P-C4' energy: -129.975 flat angles C4'-P-C4' energy: -144.843 flat angles P-C4'-P energy: -108.833 tors. eta vs tors. theta energy: -216.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2455.703500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.703500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.703500 (E_RNA) where: Base-Base interactions energy: -1766.179 where: short stacking energy: -718.732 Base-Backbone interact. energy: -0.653 local terms energy: -688.871093 where: bonds (distance) C4'-P energy: -100.648 bonds (distance) P-C4' energy: -112.427 flat angles C4'-P-C4' energy: -150.724 flat angles P-C4'-P energy: -98.077 tors. eta vs tors. theta energy: -226.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2368.815810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.815810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.815810 (E_RNA) where: Base-Base interactions energy: -1675.378 where: short stacking energy: -693.570 Base-Backbone interact. energy: -0.896 local terms energy: -692.541386 where: bonds (distance) C4'-P energy: -116.251 bonds (distance) P-C4' energy: -116.751 flat angles C4'-P-C4' energy: -148.235 flat angles P-C4'-P energy: -98.746 tors. eta vs tors. theta energy: -212.558 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: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2259.704919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.704919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.704919 (E_RNA) where: Base-Base interactions energy: -1593.501 where: short stacking energy: -655.219 Base-Backbone interact. energy: 4.744 local terms energy: -670.947701 where: bonds (distance) C4'-P energy: -114.945 bonds (distance) P-C4' energy: -113.966 flat angles C4'-P-C4' energy: -139.737 flat angles P-C4'-P energy: -102.445 tors. eta vs tors. theta energy: -199.855 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: 3 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2087.485571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.485571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.485571 (E_RNA) where: Base-Base interactions energy: -1457.872 where: short stacking energy: -604.232 Base-Backbone interact. energy: 0.163 local terms energy: -629.776682 where: bonds (distance) C4'-P energy: -109.739 bonds (distance) P-C4' energy: -115.668 flat angles C4'-P-C4' energy: -139.599 flat angles P-C4'-P energy: -89.145 tors. eta vs tors. theta energy: -175.626 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: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1815.743774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.743774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.743774 (E_RNA) where: Base-Base interactions energy: -1240.779 where: short stacking energy: -512.315 Base-Backbone interact. energy: 1.742 local terms energy: -576.706252 where: bonds (distance) C4'-P energy: -116.154 bonds (distance) P-C4' energy: -113.938 flat angles C4'-P-C4' energy: -130.074 flat angles P-C4'-P energy: -82.307 tors. eta vs tors. theta energy: -134.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1323.666755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.666755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.666755 (E_RNA) where: Base-Base interactions energy: -865.789 where: short stacking energy: -365.408 Base-Backbone interact. energy: -2.690 local terms energy: -455.186957 where: bonds (distance) C4'-P energy: -94.996 bonds (distance) P-C4' energy: -111.690 flat angles C4'-P-C4' energy: -114.549 flat angles P-C4'-P energy: -69.044 tors. eta vs tors. theta energy: -64.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -911.753196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.753196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.753196 (E_RNA) where: Base-Base interactions energy: -529.934 where: short stacking energy: -278.458 Base-Backbone interact. energy: -0.802 local terms energy: -381.016998 where: bonds (distance) C4'-P energy: -79.789 bonds (distance) P-C4' energy: -109.002 flat angles C4'-P-C4' energy: -121.340 flat angles P-C4'-P energy: -49.583 tors. eta vs tors. theta energy: -21.303 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: 8 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2712.466430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.466430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.466430 (E_RNA) where: Base-Base interactions energy: -1938.262 where: short stacking energy: -758.075 Base-Backbone interact. energy: -3.104 local terms energy: -771.099932 where: bonds (distance) C4'-P energy: -131.772 bonds (distance) P-C4' energy: -139.048 flat angles C4'-P-C4' energy: -164.517 flat angles P-C4'-P energy: -107.959 tors. eta vs tors. theta energy: -227.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2576.960490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.960490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.960490 (E_RNA) where: Base-Base interactions energy: -1821.219 where: short stacking energy: -758.244 Base-Backbone interact. energy: 1.054 local terms energy: -756.795908 where: bonds (distance) C4'-P energy: -127.262 bonds (distance) P-C4' energy: -128.434 flat angles C4'-P-C4' energy: -162.944 flat angles P-C4'-P energy: -99.903 tors. eta vs tors. theta energy: -238.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2494.695114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.695114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.695114 (E_RNA) where: Base-Base interactions energy: -1777.790 where: short stacking energy: -717.564 Base-Backbone interact. energy: 0.153 local terms energy: -717.058255 where: bonds (distance) C4'-P energy: -116.604 bonds (distance) P-C4' energy: -127.856 flat angles C4'-P-C4' energy: -153.831 flat angles P-C4'-P energy: -106.107 tors. eta vs tors. theta energy: -212.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2462.267001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.267001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.267001 (E_RNA) where: Base-Base interactions energy: -1749.222 where: short stacking energy: -732.784 Base-Backbone interact. energy: 1.785 local terms energy: -714.830239 where: bonds (distance) C4'-P energy: -103.649 bonds (distance) P-C4' energy: -130.245 flat angles C4'-P-C4' energy: -148.198 flat angles P-C4'-P energy: -106.430 tors. eta vs tors. theta energy: -226.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2368.696813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.696813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.696813 (E_RNA) where: Base-Base interactions energy: -1698.123 where: short stacking energy: -691.022 Base-Backbone interact. energy: -0.530 local terms energy: -670.043752 where: bonds (distance) C4'-P energy: -103.642 bonds (distance) P-C4' energy: -114.157 flat angles C4'-P-C4' energy: -143.047 flat angles P-C4'-P energy: -84.629 tors. eta vs tors. theta energy: -224.569 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: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2213.054895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.054895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.054895 (E_RNA) where: Base-Base interactions energy: -1548.410 where: short stacking energy: -636.583 Base-Backbone interact. energy: -2.356 local terms energy: -662.289440 where: bonds (distance) C4'-P energy: -111.934 bonds (distance) P-C4' energy: -127.121 flat angles C4'-P-C4' energy: -139.109 flat angles P-C4'-P energy: -96.682 tors. eta vs tors. theta energy: -187.443 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: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2124.134893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.134893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.134893 (E_RNA) where: Base-Base interactions energy: -1501.213 where: short stacking energy: -642.440 Base-Backbone interact. energy: -0.763 local terms energy: -622.158941 where: bonds (distance) C4'-P energy: -103.214 bonds (distance) P-C4' energy: -105.079 flat angles C4'-P-C4' energy: -138.222 flat angles P-C4'-P energy: -91.355 tors. eta vs tors. theta energy: -184.289 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: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1784.914056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.914056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.914056 (E_RNA) where: Base-Base interactions energy: -1253.726 where: short stacking energy: -509.067 Base-Backbone interact. energy: -1.639 local terms energy: -529.549666 where: bonds (distance) C4'-P energy: -94.440 bonds (distance) P-C4' energy: -106.026 flat angles C4'-P-C4' energy: -121.297 flat angles P-C4'-P energy: -73.468 tors. eta vs tors. theta energy: -134.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1292.042275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.042275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.042275 (E_RNA) where: Base-Base interactions energy: -846.037 where: short stacking energy: -372.230 Base-Backbone interact. energy: 1.230 local terms energy: -447.236161 where: bonds (distance) C4'-P energy: -98.914 bonds (distance) P-C4' energy: -108.356 flat angles C4'-P-C4' energy: -117.784 flat angles P-C4'-P energy: -47.660 tors. eta vs tors. theta energy: -74.523 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: 311 Temperature: 1.350000 Total energy: -895.258364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.258364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.258364 (E_RNA) where: Base-Base interactions energy: -487.566 where: short stacking energy: -261.827 Base-Backbone interact. energy: -0.799 local terms energy: -406.893656 where: bonds (distance) C4'-P energy: -116.241 bonds (distance) P-C4' energy: -112.882 flat angles C4'-P-C4' energy: -100.542 flat angles P-C4'-P energy: -52.263 tors. eta vs tors. theta energy: -24.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2702.355993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.355993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.355993 (E_RNA) where: Base-Base interactions energy: -1939.308 where: short stacking energy: -768.416 Base-Backbone interact. energy: -2.928 local terms energy: -760.119845 where: bonds (distance) C4'-P energy: -135.643 bonds (distance) P-C4' energy: -137.892 flat angles C4'-P-C4' energy: -160.278 flat angles P-C4'-P energy: -97.217 tors. eta vs tors. theta energy: -229.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2613.903279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.903279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.903279 (E_RNA) where: Base-Base interactions energy: -1846.798 where: short stacking energy: -765.506 Base-Backbone interact. energy: -1.029 local terms energy: -766.076328 where: bonds (distance) C4'-P energy: -126.530 bonds (distance) P-C4' energy: -125.933 flat angles C4'-P-C4' energy: -160.873 flat angles P-C4'-P energy: -115.773 tors. eta vs tors. theta energy: -236.968 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: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2530.798573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.798573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.798573 (E_RNA) where: Base-Base interactions energy: -1828.648 where: short stacking energy: -717.662 Base-Backbone interact. energy: 4.033 local terms energy: -706.183673 where: bonds (distance) C4'-P energy: -117.788 bonds (distance) P-C4' energy: -129.458 flat angles C4'-P-C4' energy: -138.042 flat angles P-C4'-P energy: -104.823 tors. eta vs tors. theta energy: -216.072 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: 312 Temperature: 1.050000 Total energy: -2452.035650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.035650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.035650 (E_RNA) where: Base-Base interactions energy: -1740.382 where: short stacking energy: -711.222 Base-Backbone interact. energy: -0.255 local terms energy: -711.398615 where: bonds (distance) C4'-P energy: -121.425 bonds (distance) P-C4' energy: -125.497 flat angles C4'-P-C4' energy: -150.731 flat angles P-C4'-P energy: -95.648 tors. eta vs tors. theta energy: -218.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2380.536972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.536972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.536972 (E_RNA) where: Base-Base interactions energy: -1694.330 where: short stacking energy: -722.006 Base-Backbone interact. energy: -1.679 local terms energy: -684.527235 where: bonds (distance) C4'-P energy: -118.561 bonds (distance) P-C4' energy: -125.533 flat angles C4'-P-C4' energy: -137.353 flat angles P-C4'-P energy: -95.653 tors. eta vs tors. theta energy: -207.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2190.946846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.946846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.946846 (E_RNA) where: Base-Base interactions energy: -1543.310 where: short stacking energy: -628.101 Base-Backbone interact. energy: -0.844 local terms energy: -646.793488 where: bonds (distance) C4'-P energy: -124.460 bonds (distance) P-C4' energy: -117.710 flat angles C4'-P-C4' energy: -134.918 flat angles P-C4'-P energy: -78.425 tors. eta vs tors. theta energy: -191.280 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: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2170.678037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.678037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.678037 (E_RNA) where: Base-Base interactions energy: -1525.367 where: short stacking energy: -631.150 Base-Backbone interact. energy: -3.584 local terms energy: -641.726863 where: bonds (distance) C4'-P energy: -111.302 bonds (distance) P-C4' energy: -103.780 flat angles C4'-P-C4' energy: -138.529 flat angles P-C4'-P energy: -92.876 tors. eta vs tors. theta energy: -195.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1801.707288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.707288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.707288 (E_RNA) where: Base-Base interactions energy: -1226.570 where: short stacking energy: -538.092 Base-Backbone interact. energy: -2.145 local terms energy: -572.991560 where: bonds (distance) C4'-P energy: -119.795 bonds (distance) P-C4' energy: -111.218 flat angles C4'-P-C4' energy: -124.965 flat angles P-C4'-P energy: -75.877 tors. eta vs tors. theta energy: -141.137 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: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1280.662052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.662052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.662052 (E_RNA) where: Base-Base interactions energy: -823.574 where: short stacking energy: -382.811 Base-Backbone interact. energy: 3.302 local terms energy: -460.389978 where: bonds (distance) C4'-P energy: -112.014 bonds (distance) P-C4' energy: -101.393 flat angles C4'-P-C4' energy: -117.941 flat angles P-C4'-P energy: -64.144 tors. eta vs tors. theta energy: -64.897 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: 6 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -902.529139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.529139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.529139 (E_RNA) where: Base-Base interactions energy: -506.726 where: short stacking energy: -252.482 Base-Backbone interact. energy: -2.881 local terms energy: -392.921482 where: bonds (distance) C4'-P energy: -98.358 bonds (distance) P-C4' energy: -116.529 flat angles C4'-P-C4' energy: -97.900 flat angles P-C4'-P energy: -54.070 tors. eta vs tors. theta energy: -26.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2709.668929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.668929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.668929 (E_RNA) where: Base-Base interactions energy: -1953.737 where: short stacking energy: -762.262 Base-Backbone interact. energy: -0.573 local terms energy: -755.358318 where: bonds (distance) C4'-P energy: -137.600 bonds (distance) P-C4' energy: -134.620 flat angles C4'-P-C4' energy: -162.639 flat angles P-C4'-P energy: -104.413 tors. eta vs tors. theta energy: -216.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2557.809647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.809647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.809647 (E_RNA) where: Base-Base interactions energy: -1821.472 where: short stacking energy: -725.531 Base-Backbone interact. energy: -0.526 local terms energy: -735.812028 where: bonds (distance) C4'-P energy: -120.478 bonds (distance) P-C4' energy: -127.261 flat angles C4'-P-C4' energy: -155.133 flat angles P-C4'-P energy: -112.610 tors. eta vs tors. theta energy: -220.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2562.257636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.257636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.257636 (E_RNA) where: Base-Base interactions energy: -1805.663 where: short stacking energy: -762.707 Base-Backbone interact. energy: -1.723 local terms energy: -754.872108 where: bonds (distance) C4'-P energy: -133.337 bonds (distance) P-C4' energy: -136.866 flat angles C4'-P-C4' energy: -151.901 flat angles P-C4'-P energy: -100.310 tors. eta vs tors. theta energy: -232.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2457.810403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.810403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.810403 (E_RNA) where: Base-Base interactions energy: -1742.586 where: short stacking energy: -715.877 Base-Backbone interact. energy: -1.355 local terms energy: -713.869063 where: bonds (distance) C4'-P energy: -124.495 bonds (distance) P-C4' energy: -118.441 flat angles C4'-P-C4' energy: -141.199 flat angles P-C4'-P energy: -101.257 tors. eta vs tors. theta energy: -228.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2359.364260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.364260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.364260 (E_RNA) where: Base-Base interactions energy: -1670.814 where: short stacking energy: -681.255 Base-Backbone interact. energy: -2.000 local terms energy: -686.550808 where: bonds (distance) C4'-P energy: -116.062 bonds (distance) P-C4' energy: -118.861 flat angles C4'-P-C4' energy: -135.350 flat angles P-C4'-P energy: -95.177 tors. eta vs tors. theta energy: -221.101 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: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2224.484787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.484787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.484787 (E_RNA) where: Base-Base interactions energy: -1553.384 where: short stacking energy: -652.620 Base-Backbone interact. energy: 0.029 local terms energy: -671.129570 where: bonds (distance) C4'-P energy: -107.671 bonds (distance) P-C4' energy: -134.435 flat angles C4'-P-C4' energy: -140.723 flat angles P-C4'-P energy: -81.496 tors. eta vs tors. theta energy: -206.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2124.685421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.685421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.685421 (E_RNA) where: Base-Base interactions energy: -1488.215 where: short stacking energy: -613.251 Base-Backbone interact. energy: -1.971 local terms energy: -634.499668 where: bonds (distance) C4'-P energy: -97.082 bonds (distance) P-C4' energy: -116.595 flat angles C4'-P-C4' energy: -144.718 flat angles P-C4'-P energy: -86.776 tors. eta vs tors. theta energy: -189.329 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: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1712.462280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.462280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.462280 (E_RNA) where: Base-Base interactions energy: -1152.706 where: short stacking energy: -495.076 Base-Backbone interact. energy: -2.447 local terms energy: -557.309002 where: bonds (distance) C4'-P energy: -99.274 bonds (distance) P-C4' energy: -107.316 flat angles C4'-P-C4' energy: -137.858 flat angles P-C4'-P energy: -86.984 tors. eta vs tors. theta energy: -125.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1216.714753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.714753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.714753 (E_RNA) where: Base-Base interactions energy: -761.362 where: short stacking energy: -336.836 Base-Backbone interact. energy: 2.017 local terms energy: -457.370232 where: bonds (distance) C4'-P energy: -107.190 bonds (distance) P-C4' energy: -110.592 flat angles C4'-P-C4' energy: -123.824 flat angles P-C4'-P energy: -57.981 tors. eta vs tors. theta energy: -57.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -902.620794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.620794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.620794 (E_RNA) where: Base-Base interactions energy: -503.679 where: short stacking energy: -261.097 Base-Backbone interact. energy: -1.411 local terms energy: -397.530797 where: bonds (distance) C4'-P energy: -110.713 bonds (distance) P-C4' energy: -116.648 flat angles C4'-P-C4' energy: -91.951 flat angles P-C4'-P energy: -51.669 tors. eta vs tors. theta energy: -26.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2699.503049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.503049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.503049 (E_RNA) where: Base-Base interactions energy: -1946.302 where: short stacking energy: -754.046 Base-Backbone interact. energy: -0.078 local terms energy: -753.122349 where: bonds (distance) C4'-P energy: -127.114 bonds (distance) P-C4' energy: -134.066 flat angles C4'-P-C4' energy: -154.947 flat angles P-C4'-P energy: -113.809 tors. eta vs tors. theta energy: -223.186 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: 314 Temperature: 0.950000 Total energy: -2543.041459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.041459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.041459 (E_RNA) where: Base-Base interactions energy: -1811.521 where: short stacking energy: -740.218 Base-Backbone interact. energy: -1.627 local terms energy: -729.894097 where: bonds (distance) C4'-P energy: -113.700 bonds (distance) P-C4' energy: -141.961 flat angles C4'-P-C4' energy: -154.838 flat angles P-C4'-P energy: -102.948 tors. eta vs tors. theta energy: -216.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2554.183738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.183738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.183738 (E_RNA) where: Base-Base interactions energy: -1823.590 where: short stacking energy: -754.422 Base-Backbone interact. energy: -1.129 local terms energy: -729.464807 where: bonds (distance) C4'-P energy: -119.448 bonds (distance) P-C4' energy: -132.594 flat angles C4'-P-C4' energy: -148.878 flat angles P-C4'-P energy: -93.137 tors. eta vs tors. theta energy: -235.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2455.558691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.558691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.558691 (E_RNA) where: Base-Base interactions energy: -1723.095 where: short stacking energy: -704.299 Base-Backbone interact. energy: 4.621 local terms energy: -737.084370 where: bonds (distance) C4'-P energy: -129.940 bonds (distance) P-C4' energy: -135.532 flat angles C4'-P-C4' energy: -152.005 flat angles P-C4'-P energy: -100.992 tors. eta vs tors. theta energy: -218.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2365.734840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.734840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.734840 (E_RNA) where: Base-Base interactions energy: -1678.904 where: short stacking energy: -675.012 Base-Backbone interact. energy: -0.021 local terms energy: -686.809887 where: bonds (distance) C4'-P energy: -124.943 bonds (distance) P-C4' energy: -126.673 flat angles C4'-P-C4' energy: -141.893 flat angles P-C4'-P energy: -85.596 tors. eta vs tors. theta energy: -207.705 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: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2228.653088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.653088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.653088 (E_RNA) where: Base-Base interactions energy: -1535.768 where: short stacking energy: -659.335 Base-Backbone interact. energy: -0.126 local terms energy: -692.759071 where: bonds (distance) C4'-P energy: -115.959 bonds (distance) P-C4' energy: -114.466 flat angles C4'-P-C4' energy: -148.936 flat angles P-C4'-P energy: -99.440 tors. eta vs tors. theta energy: -213.958 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: 9 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2131.676348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.676348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.676348 (E_RNA) where: Base-Base interactions energy: -1509.718 where: short stacking energy: -610.823 Base-Backbone interact. energy: 2.887 local terms energy: -624.845403 where: bonds (distance) C4'-P energy: -124.188 bonds (distance) P-C4' energy: -116.204 flat angles C4'-P-C4' energy: -129.562 flat angles P-C4'-P energy: -84.272 tors. eta vs tors. theta energy: -170.620 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: 5 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1780.712381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.712381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.712381 (E_RNA) where: Base-Base interactions energy: -1227.784 where: short stacking energy: -519.741 Base-Backbone interact. energy: 0.347 local terms energy: -553.275850 where: bonds (distance) C4'-P energy: -104.607 bonds (distance) P-C4' energy: -90.968 flat angles C4'-P-C4' energy: -122.908 flat angles P-C4'-P energy: -93.996 tors. eta vs tors. theta energy: -140.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1256.792663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.792663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.792663 (E_RNA) where: Base-Base interactions energy: -802.883 where: short stacking energy: -343.644 Base-Backbone interact. energy: 0.566 local terms energy: -454.476120 where: bonds (distance) C4'-P energy: -86.400 bonds (distance) P-C4' energy: -117.662 flat angles C4'-P-C4' energy: -108.928 flat angles P-C4'-P energy: -70.842 tors. eta vs tors. theta energy: -70.644 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: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -880.609684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.609684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.609684 (E_RNA) where: Base-Base interactions energy: -503.735 where: short stacking energy: -251.753 Base-Backbone interact. energy: -0.671 local terms energy: -376.203512 where: bonds (distance) C4'-P energy: -107.353 bonds (distance) P-C4' energy: -101.094 flat angles C4'-P-C4' energy: -86.905 flat angles P-C4'-P energy: -47.295 tors. eta vs tors. theta energy: -33.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2715.976912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.976912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.976912 (E_RNA) where: Base-Base interactions energy: -1964.798 where: short stacking energy: -764.632 Base-Backbone interact. energy: -0.305 local terms energy: -750.873963 where: bonds (distance) C4'-P energy: -119.386 bonds (distance) P-C4' energy: -145.725 flat angles C4'-P-C4' energy: -166.574 flat angles P-C4'-P energy: -97.053 tors. eta vs tors. theta energy: -222.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2560.817052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.817052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.817052 (E_RNA) where: Base-Base interactions energy: -1829.923 where: short stacking energy: -739.123 Base-Backbone interact. energy: 0.389 local terms energy: -731.283072 where: bonds (distance) C4'-P energy: -127.916 bonds (distance) P-C4' energy: -122.042 flat angles C4'-P-C4' energy: -161.557 flat angles P-C4'-P energy: -108.792 tors. eta vs tors. theta energy: -210.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2532.187232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.187232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.187232 (E_RNA) where: Base-Base interactions energy: -1796.211 where: short stacking energy: -754.553 Base-Backbone interact. energy: -2.199 local terms energy: -733.777819 where: bonds (distance) C4'-P energy: -116.519 bonds (distance) P-C4' energy: -127.915 flat angles C4'-P-C4' energy: -153.057 flat angles P-C4'-P energy: -104.255 tors. eta vs tors. theta energy: -232.032 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: 4, replica: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2464.543351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.543351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.543351 (E_RNA) where: Base-Base interactions energy: -1760.038 where: short stacking energy: -732.328 Base-Backbone interact. energy: -1.976 local terms energy: -702.529139 where: bonds (distance) C4'-P energy: -125.727 bonds (distance) P-C4' energy: -117.570 flat angles C4'-P-C4' energy: -151.766 flat angles P-C4'-P energy: -80.746 tors. eta vs tors. theta energy: -226.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2373.893986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.893986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.893986 (E_RNA) where: Base-Base interactions energy: -1666.270 where: short stacking energy: -688.562 Base-Backbone interact. energy: -1.510 local terms energy: -706.114294 where: bonds (distance) C4'-P energy: -118.425 bonds (distance) P-C4' energy: -127.423 flat angles C4'-P-C4' energy: -150.738 flat angles P-C4'-P energy: -95.364 tors. eta vs tors. theta energy: -214.163 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: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2217.052825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.052825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.052825 (E_RNA) where: Base-Base interactions energy: -1586.920 where: short stacking energy: -655.934 Base-Backbone interact. energy: -1.507 local terms energy: -628.625867 where: bonds (distance) C4'-P energy: -112.355 bonds (distance) P-C4' energy: -110.384 flat angles C4'-P-C4' energy: -136.956 flat angles P-C4'-P energy: -76.382 tors. eta vs tors. theta energy: -192.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2133.998527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.998527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.998527 (E_RNA) where: Base-Base interactions energy: -1496.498 where: short stacking energy: -604.625 Base-Backbone interact. energy: -0.730 local terms energy: -636.771072 where: bonds (distance) C4'-P energy: -103.945 bonds (distance) P-C4' energy: -129.774 flat angles C4'-P-C4' energy: -141.229 flat angles P-C4'-P energy: -72.705 tors. eta vs tors. theta energy: -189.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1744.748867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.748867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.748867 (E_RNA) where: Base-Base interactions energy: -1188.824 where: short stacking energy: -518.245 Base-Backbone interact. energy: -2.576 local terms energy: -553.348981 where: bonds (distance) C4'-P energy: -115.736 bonds (distance) P-C4' energy: -94.699 flat angles C4'-P-C4' energy: -127.016 flat angles P-C4'-P energy: -79.415 tors. eta vs tors. theta energy: -136.482 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: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1281.894812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.894812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.894812 (E_RNA) where: Base-Base interactions energy: -809.812 where: short stacking energy: -399.551 Base-Backbone interact. energy: 0.434 local terms energy: -472.517446 where: bonds (distance) C4'-P energy: -107.634 bonds (distance) P-C4' energy: -106.454 flat angles C4'-P-C4' energy: -114.500 flat angles P-C4'-P energy: -66.813 tors. eta vs tors. theta energy: -77.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -925.874141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.874141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.874141 (E_RNA) where: Base-Base interactions energy: -522.571 where: short stacking energy: -274.572 Base-Backbone interact. energy: -1.086 local terms energy: -402.217380 where: bonds (distance) C4'-P energy: -99.295 bonds (distance) P-C4' energy: -123.939 flat angles C4'-P-C4' energy: -87.908 flat angles P-C4'-P energy: -46.935 tors. eta vs tors. theta energy: -44.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2738.299562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.299562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.299562 (E_RNA) where: Base-Base interactions energy: -1969.511 where: short stacking energy: -762.087 Base-Backbone interact. energy: -4.141 local terms energy: -764.647519 where: bonds (distance) C4'-P energy: -132.833 bonds (distance) P-C4' energy: -132.950 flat angles C4'-P-C4' energy: -157.612 flat angles P-C4'-P energy: -104.852 tors. eta vs tors. theta energy: -236.399 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: 4 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2537.171064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.171064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.171064 (E_RNA) where: Base-Base interactions energy: -1801.571 where: short stacking energy: -734.511 Base-Backbone interact. energy: -0.365 local terms energy: -735.235132 where: bonds (distance) C4'-P energy: -132.474 bonds (distance) P-C4' energy: -136.793 flat angles C4'-P-C4' energy: -142.844 flat angles P-C4'-P energy: -101.645 tors. eta vs tors. theta energy: -221.479 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: 1 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2531.703870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.703870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.703870 (E_RNA) where: Base-Base interactions energy: -1776.951 where: short stacking energy: -735.560 Base-Backbone interact. energy: -1.146 local terms energy: -753.606856 where: bonds (distance) C4'-P energy: -129.255 bonds (distance) P-C4' energy: -133.805 flat angles C4'-P-C4' energy: -158.597 flat angles P-C4'-P energy: -102.954 tors. eta vs tors. theta energy: -228.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2442.450772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.450772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.450772 (E_RNA) where: Base-Base interactions energy: -1712.882 where: short stacking energy: -719.510 Base-Backbone interact. energy: -1.233 local terms energy: -728.335914 where: bonds (distance) C4'-P energy: -125.718 bonds (distance) P-C4' energy: -138.564 flat angles C4'-P-C4' energy: -143.850 flat angles P-C4'-P energy: -100.946 tors. eta vs tors. theta energy: -219.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2359.389237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.389237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.389237 (E_RNA) where: Base-Base interactions energy: -1692.230 where: short stacking energy: -697.395 Base-Backbone interact. energy: 0.002 local terms energy: -667.161852 where: bonds (distance) C4'-P energy: -107.334 bonds (distance) P-C4' energy: -113.606 flat angles C4'-P-C4' energy: -137.126 flat angles P-C4'-P energy: -94.239 tors. eta vs tors. theta energy: -214.856 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: 3 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2259.707963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.707963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.707963 (E_RNA) where: Base-Base interactions energy: -1573.769 where: short stacking energy: -658.022 Base-Backbone interact. energy: -0.006 local terms energy: -685.933399 where: bonds (distance) C4'-P energy: -114.749 bonds (distance) P-C4' energy: -136.955 flat angles C4'-P-C4' energy: -143.981 flat angles P-C4'-P energy: -98.657 tors. eta vs tors. theta energy: -191.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2181.481935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.481935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.481935 (E_RNA) where: Base-Base interactions energy: -1573.588 where: short stacking energy: -623.054 Base-Backbone interact. energy: -0.383 local terms energy: -607.510249 where: bonds (distance) C4'-P energy: -107.810 bonds (distance) P-C4' energy: -93.986 flat angles C4'-P-C4' energy: -136.185 flat angles P-C4'-P energy: -88.246 tors. eta vs tors. theta energy: -181.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1762.646374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.646374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.646374 (E_RNA) where: Base-Base interactions energy: -1233.038 where: short stacking energy: -533.395 Base-Backbone interact. energy: -2.235 local terms energy: -527.373768 where: bonds (distance) C4'-P energy: -94.876 bonds (distance) P-C4' energy: -110.065 flat angles C4'-P-C4' energy: -123.624 flat angles P-C4'-P energy: -70.773 tors. eta vs tors. theta energy: -128.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1244.301937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.301937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.301937 (E_RNA) where: Base-Base interactions energy: -777.866 where: short stacking energy: -356.651 Base-Backbone interact. energy: 2.514 local terms energy: -468.949600 where: bonds (distance) C4'-P energy: -109.286 bonds (distance) P-C4' energy: -101.251 flat angles C4'-P-C4' energy: -128.373 flat angles P-C4'-P energy: -74.887 tors. eta vs tors. theta energy: -55.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -854.424691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.424691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.424691 (E_RNA) where: Base-Base interactions energy: -473.571 where: short stacking energy: -251.157 Base-Backbone interact. energy: -2.974 local terms energy: -377.879127 where: bonds (distance) C4'-P energy: -109.381 bonds (distance) P-C4' energy: -98.097 flat angles C4'-P-C4' energy: -97.790 flat angles P-C4'-P energy: -70.879 tors. eta vs tors. theta energy: -1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2717.992300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.992300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.992300 (E_RNA) where: Base-Base interactions energy: -1960.290 where: short stacking energy: -757.429 Base-Backbone interact. energy: -1.091 local terms energy: -756.611469 where: bonds (distance) C4'-P energy: -128.300 bonds (distance) P-C4' energy: -128.899 flat angles C4'-P-C4' energy: -168.317 flat angles P-C4'-P energy: -110.798 tors. eta vs tors. theta energy: -220.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2573.124746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.124746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.124746 (E_RNA) where: Base-Base interactions energy: -1817.961 where: short stacking energy: -730.145 Base-Backbone interact. energy: 1.170 local terms energy: -756.333964 where: bonds (distance) C4'-P energy: -129.753 bonds (distance) P-C4' energy: -127.423 flat angles C4'-P-C4' energy: -156.864 flat angles P-C4'-P energy: -115.842 tors. eta vs tors. theta energy: -226.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2523.328664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.328664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.328664 (E_RNA) where: Base-Base interactions energy: -1769.911 where: short stacking energy: -722.834 Base-Backbone interact. energy: -2.855 local terms energy: -750.562441 where: bonds (distance) C4'-P energy: -134.000 bonds (distance) P-C4' energy: -138.639 flat angles C4'-P-C4' energy: -154.344 flat angles P-C4'-P energy: -104.934 tors. eta vs tors. theta energy: -218.645 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: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2495.197265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.197265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.197265 (E_RNA) where: Base-Base interactions energy: -1780.370 where: short stacking energy: -744.241 Base-Backbone interact. energy: -1.054 local terms energy: -713.773548 where: bonds (distance) C4'-P energy: -114.065 bonds (distance) P-C4' energy: -121.698 flat angles C4'-P-C4' energy: -148.379 flat angles P-C4'-P energy: -101.881 tors. eta vs tors. theta energy: -227.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2374.037137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.037137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.037137 (E_RNA) where: Base-Base interactions energy: -1718.890 where: short stacking energy: -691.792 Base-Backbone interact. energy: -1.752 local terms energy: -653.394815 where: bonds (distance) C4'-P energy: -101.202 bonds (distance) P-C4' energy: -124.508 flat angles C4'-P-C4' energy: -130.578 flat angles P-C4'-P energy: -88.046 tors. eta vs tors. theta energy: -209.061 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: 6, replica: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2213.239955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.239955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.239955 (E_RNA) where: Base-Base interactions energy: -1558.848 where: short stacking energy: -617.934 Base-Backbone interact. energy: -2.756 local terms energy: -651.635630 where: bonds (distance) C4'-P energy: -115.677 bonds (distance) P-C4' energy: -102.960 flat angles C4'-P-C4' energy: -146.103 flat angles P-C4'-P energy: -104.159 tors. eta vs tors. theta energy: -182.737 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: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2108.184309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.184309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.184309 (E_RNA) where: Base-Base interactions energy: -1481.853 where: short stacking energy: -604.550 Base-Backbone interact. energy: -1.884 local terms energy: -624.447833 where: bonds (distance) C4'-P energy: -100.750 bonds (distance) P-C4' energy: -115.318 flat angles C4'-P-C4' energy: -143.876 flat angles P-C4'-P energy: -77.714 tors. eta vs tors. theta energy: -186.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1707.522242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.522242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.522242 (E_RNA) where: Base-Base interactions energy: -1158.198 where: short stacking energy: -519.200 Base-Backbone interact. energy: 3.676 local terms energy: -553.000612 where: bonds (distance) C4'-P energy: -107.420 bonds (distance) P-C4' energy: -103.702 flat angles C4'-P-C4' energy: -133.056 flat angles P-C4'-P energy: -84.210 tors. eta vs tors. theta energy: -124.613 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: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1125.461115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.461115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.461115 (E_RNA) where: Base-Base interactions energy: -665.314 where: short stacking energy: -308.490 Base-Backbone interact. energy: 3.962 local terms energy: -464.109530 where: bonds (distance) C4'-P energy: -102.706 bonds (distance) P-C4' energy: -119.084 flat angles C4'-P-C4' energy: -110.985 flat angles P-C4'-P energy: -73.833 tors. eta vs tors. theta energy: -57.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -896.830560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.830560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.830560 (E_RNA) where: Base-Base interactions energy: -535.148 where: short stacking energy: -256.501 Base-Backbone interact. energy: 2.914 local terms energy: -364.596635 where: bonds (distance) C4'-P energy: -101.948 bonds (distance) P-C4' energy: -110.275 flat angles C4'-P-C4' energy: -86.390 flat angles P-C4'-P energy: -51.386 tors. eta vs tors. theta energy: -14.598 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: 1, replica: 8 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2702.365779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.365779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.365779 (E_RNA) where: Base-Base interactions energy: -1948.513 where: short stacking energy: -775.004 Base-Backbone interact. energy: -4.114 local terms energy: -749.738098 where: bonds (distance) C4'-P energy: -121.778 bonds (distance) P-C4' energy: -135.823 flat angles C4'-P-C4' energy: -158.522 flat angles P-C4'-P energy: -98.618 tors. eta vs tors. theta energy: -234.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2595.294603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.294603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.294603 (E_RNA) where: Base-Base interactions energy: -1839.607 where: short stacking energy: -748.248 Base-Backbone interact. energy: 1.219 local terms energy: -756.907057 where: bonds (distance) C4'-P energy: -137.809 bonds (distance) P-C4' energy: -126.293 flat angles C4'-P-C4' energy: -158.373 flat angles P-C4'-P energy: -103.232 tors. eta vs tors. theta energy: -231.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2506.249697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.249697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.249697 (E_RNA) where: Base-Base interactions energy: -1782.200 where: short stacking energy: -737.125 Base-Backbone interact. energy: -0.365 local terms energy: -723.684050 where: bonds (distance) C4'-P energy: -127.183 bonds (distance) P-C4' energy: -135.222 flat angles C4'-P-C4' energy: -136.496 flat angles P-C4'-P energy: -96.127 tors. eta vs tors. theta energy: -228.655 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: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2465.914790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.914790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.914790 (E_RNA) where: Base-Base interactions energy: -1744.296 where: short stacking energy: -696.806 Base-Backbone interact. energy: -2.513 local terms energy: -719.105992 where: bonds (distance) C4'-P energy: -128.633 bonds (distance) P-C4' energy: -123.376 flat angles C4'-P-C4' energy: -148.171 flat angles P-C4'-P energy: -102.676 tors. eta vs tors. theta energy: -216.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2390.021801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.021801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.021801 (E_RNA) where: Base-Base interactions energy: -1674.152 where: short stacking energy: -687.344 Base-Backbone interact. energy: -1.968 local terms energy: -713.901696 where: bonds (distance) C4'-P energy: -134.412 bonds (distance) P-C4' energy: -130.099 flat angles C4'-P-C4' energy: -151.989 flat angles P-C4'-P energy: -89.583 tors. eta vs tors. theta energy: -207.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2195.753068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.753068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.753068 (E_RNA) where: Base-Base interactions energy: -1570.419 where: short stacking energy: -632.851 Base-Backbone interact. energy: 0.380 local terms energy: -625.714423 where: bonds (distance) C4'-P energy: -131.912 bonds (distance) P-C4' energy: -101.025 flat angles C4'-P-C4' energy: -130.695 flat angles P-C4'-P energy: -80.472 tors. eta vs tors. theta energy: -181.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2075.675889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.675889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.675889 (E_RNA) where: Base-Base interactions energy: -1465.376 where: short stacking energy: -601.085 Base-Backbone interact. energy: -1.494 local terms energy: -608.805623 where: bonds (distance) C4'-P energy: -105.871 bonds (distance) P-C4' energy: -110.689 flat angles C4'-P-C4' energy: -129.110 flat angles P-C4'-P energy: -99.133 tors. eta vs tors. theta energy: -164.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1703.541907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.541907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.541907 (E_RNA) where: Base-Base interactions energy: -1138.599 where: short stacking energy: -500.235 Base-Backbone interact. energy: -2.657 local terms energy: -562.285947 where: bonds (distance) C4'-P energy: -106.926 bonds (distance) P-C4' energy: -115.353 flat angles C4'-P-C4' energy: -123.723 flat angles P-C4'-P energy: -77.971 tors. eta vs tors. theta energy: -138.312 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: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1125.724838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.724838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.724838 (E_RNA) where: Base-Base interactions energy: -724.801 where: short stacking energy: -356.020 Base-Backbone interact. energy: -2.502 local terms energy: -398.421079 where: bonds (distance) C4'-P energy: -78.452 bonds (distance) P-C4' energy: -103.825 flat angles C4'-P-C4' energy: -105.132 flat angles P-C4'-P energy: -45.661 tors. eta vs tors. theta energy: -65.351 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: 6 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -935.700569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.700569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.700569 (E_RNA) where: Base-Base interactions energy: -543.032 where: short stacking energy: -283.772 Base-Backbone interact. energy: 2.420 local terms energy: -395.088400 where: bonds (distance) C4'-P energy: -106.121 bonds (distance) P-C4' energy: -87.770 flat angles C4'-P-C4' energy: -90.950 flat angles P-C4'-P energy: -71.172 tors. eta vs tors. theta energy: -39.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2724.705664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.705664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.705664 (E_RNA) where: Base-Base interactions energy: -1961.685 where: short stacking energy: -750.386 Base-Backbone interact. energy: -1.018 local terms energy: -762.002510 where: bonds (distance) C4'-P energy: -135.092 bonds (distance) P-C4' energy: -135.480 flat angles C4'-P-C4' energy: -154.084 flat angles P-C4'-P energy: -105.181 tors. eta vs tors. theta energy: -232.166 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: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2592.007460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.007460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.007460 (E_RNA) where: Base-Base interactions energy: -1844.522 where: short stacking energy: -761.410 Base-Backbone interact. energy: -0.019 local terms energy: -747.466484 where: bonds (distance) C4'-P energy: -111.068 bonds (distance) P-C4' energy: -132.630 flat angles C4'-P-C4' energy: -158.031 flat angles P-C4'-P energy: -114.636 tors. eta vs tors. theta energy: -231.102 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: 10 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2536.933968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.933968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.933968 (E_RNA) where: Base-Base interactions energy: -1796.781 where: short stacking energy: -755.935 Base-Backbone interact. energy: -0.650 local terms energy: -739.502772 where: bonds (distance) C4'-P energy: -129.404 bonds (distance) P-C4' energy: -127.272 flat angles C4'-P-C4' energy: -151.941 flat angles P-C4'-P energy: -96.872 tors. eta vs tors. theta energy: -234.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2431.044618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.044618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.044618 (E_RNA) where: Base-Base interactions energy: -1726.546 where: short stacking energy: -691.366 Base-Backbone interact. energy: -1.458 local terms energy: -703.040948 where: bonds (distance) C4'-P energy: -112.887 bonds (distance) P-C4' energy: -126.025 flat angles C4'-P-C4' energy: -156.844 flat angles P-C4'-P energy: -92.381 tors. eta vs tors. theta energy: -214.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2345.658888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.658888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.658888 (E_RNA) where: Base-Base interactions energy: -1667.660 where: short stacking energy: -705.936 Base-Backbone interact. energy: -0.879 local terms energy: -677.120035 where: bonds (distance) C4'-P energy: -103.156 bonds (distance) P-C4' energy: -124.583 flat angles C4'-P-C4' energy: -152.709 flat angles P-C4'-P energy: -84.670 tors. eta vs tors. theta energy: -212.002 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: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2222.728804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.728804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.728804 (E_RNA) where: Base-Base interactions energy: -1583.336 where: short stacking energy: -637.841 Base-Backbone interact. energy: -0.586 local terms energy: -638.806703 where: bonds (distance) C4'-P energy: -101.885 bonds (distance) P-C4' energy: -117.528 flat angles C4'-P-C4' energy: -132.857 flat angles P-C4'-P energy: -93.181 tors. eta vs tors. theta energy: -193.356 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: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2138.955040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.955040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.955040 (E_RNA) where: Base-Base interactions energy: -1496.067 where: short stacking energy: -629.264 Base-Backbone interact. energy: 1.425 local terms energy: -644.313144 where: bonds (distance) C4'-P energy: -103.839 bonds (distance) P-C4' energy: -119.265 flat angles C4'-P-C4' energy: -144.943 flat angles P-C4'-P energy: -90.719 tors. eta vs tors. theta energy: -185.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1680.741029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.741029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.741029 (E_RNA) where: Base-Base interactions energy: -1120.388 where: short stacking energy: -493.006 Base-Backbone interact. energy: -1.267 local terms energy: -559.086568 where: bonds (distance) C4'-P energy: -106.579 bonds (distance) P-C4' energy: -119.496 flat angles C4'-P-C4' energy: -102.885 flat angles P-C4'-P energy: -94.155 tors. eta vs tors. theta energy: -135.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1085.231232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.231232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.231232 (E_RNA) where: Base-Base interactions energy: -690.606 where: short stacking energy: -310.483 Base-Backbone interact. energy: -1.582 local terms energy: -393.042693 where: bonds (distance) C4'-P energy: -91.571 bonds (distance) P-C4' energy: -98.604 flat angles C4'-P-C4' energy: -120.122 flat angles P-C4'-P energy: -51.337 tors. eta vs tors. theta energy: -31.409 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: 10, replica: 6 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -952.055936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.055936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.055936 (E_RNA) where: Base-Base interactions energy: -551.039 where: short stacking energy: -270.156 Base-Backbone interact. energy: 1.451 local terms energy: -402.468063 where: bonds (distance) C4'-P energy: -117.096 bonds (distance) P-C4' energy: -115.839 flat angles C4'-P-C4' energy: -78.160 flat angles P-C4'-P energy: -68.045 tors. eta vs tors. theta energy: -23.327 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: 1, replica: 8 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2696.330035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.330035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.330035 (E_RNA) where: Base-Base interactions energy: -1933.028 where: short stacking energy: -740.580 Base-Backbone interact. energy: -3.647 local terms energy: -759.654746 where: bonds (distance) C4'-P energy: -122.372 bonds (distance) P-C4' energy: -135.848 flat angles C4'-P-C4' energy: -167.432 flat angles P-C4'-P energy: -110.411 tors. eta vs tors. theta energy: -223.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2570.734961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.734961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.734961 (E_RNA) where: Base-Base interactions energy: -1834.905 where: short stacking energy: -753.162 Base-Backbone interact. energy: -2.111 local terms energy: -733.718692 where: bonds (distance) C4'-P energy: -125.859 bonds (distance) P-C4' energy: -138.556 flat angles C4'-P-C4' energy: -149.331 flat angles P-C4'-P energy: -88.603 tors. eta vs tors. theta energy: -231.370 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: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2540.141098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.141098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.141098 (E_RNA) where: Base-Base interactions energy: -1804.139 where: short stacking energy: -743.550 Base-Backbone interact. energy: -0.848 local terms energy: -735.154307 where: bonds (distance) C4'-P energy: -129.213 bonds (distance) P-C4' energy: -122.345 flat angles C4'-P-C4' energy: -157.102 flat angles P-C4'-P energy: -100.135 tors. eta vs tors. theta energy: -226.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2427.839142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.839142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.839142 (E_RNA) where: Base-Base interactions energy: -1711.303 where: short stacking energy: -691.129 Base-Backbone interact. energy: -0.946 local terms energy: -715.589617 where: bonds (distance) C4'-P energy: -120.892 bonds (distance) P-C4' energy: -135.416 flat angles C4'-P-C4' energy: -151.966 flat angles P-C4'-P energy: -99.181 tors. eta vs tors. theta energy: -208.136 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: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2365.522624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.522624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.522624 (E_RNA) where: Base-Base interactions energy: -1708.293 where: short stacking energy: -680.051 Base-Backbone interact. energy: 3.354 local terms energy: -660.584230 where: bonds (distance) C4'-P energy: -117.333 bonds (distance) P-C4' energy: -116.321 flat angles C4'-P-C4' energy: -134.893 flat angles P-C4'-P energy: -89.071 tors. eta vs tors. theta energy: -202.966 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: 9 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2217.873678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.873678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.873678 (E_RNA) where: Base-Base interactions energy: -1570.878 where: short stacking energy: -633.137 Base-Backbone interact. energy: 0.287 local terms energy: -647.282530 where: bonds (distance) C4'-P energy: -112.795 bonds (distance) P-C4' energy: -116.360 flat angles C4'-P-C4' energy: -133.120 flat angles P-C4'-P energy: -98.462 tors. eta vs tors. theta energy: -186.545 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: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2117.647036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.647036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.647036 (E_RNA) where: Base-Base interactions energy: -1510.653 where: short stacking energy: -630.777 Base-Backbone interact. energy: -0.962 local terms energy: -606.032193 where: bonds (distance) C4'-P energy: -102.434 bonds (distance) P-C4' energy: -102.263 flat angles C4'-P-C4' energy: -135.795 flat angles P-C4'-P energy: -79.556 tors. eta vs tors. theta energy: -185.985 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: 8, replica: 5 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1672.647264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.647264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.647264 (E_RNA) where: Base-Base interactions energy: -1103.694 where: short stacking energy: -490.825 Base-Backbone interact. energy: -0.162 local terms energy: -568.791502 where: bonds (distance) C4'-P energy: -111.423 bonds (distance) P-C4' energy: -123.383 flat angles C4'-P-C4' energy: -120.214 flat angles P-C4'-P energy: -79.387 tors. eta vs tors. theta energy: -134.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1203.306508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.306508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.306508 (E_RNA) where: Base-Base interactions energy: -769.903 where: short stacking energy: -352.656 Base-Backbone interact. energy: 9.123 local terms energy: -442.526581 where: bonds (distance) C4'-P energy: -95.143 bonds (distance) P-C4' energy: -87.995 flat angles C4'-P-C4' energy: -113.872 flat angles P-C4'-P energy: -82.410 tors. eta vs tors. theta energy: -63.107 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: 6 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -938.141228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.141228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.141228 (E_RNA) where: Base-Base interactions energy: -543.180 where: short stacking energy: -282.893 Base-Backbone interact. energy: -0.841 local terms energy: -394.120304 where: bonds (distance) C4'-P energy: -92.746 bonds (distance) P-C4' energy: -105.794 flat angles C4'-P-C4' energy: -102.315 flat angles P-C4'-P energy: -53.841 tors. eta vs tors. theta energy: -39.424 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: 1, replica: 8 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2715.848929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.848929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.848929 (E_RNA) where: Base-Base interactions energy: -1959.248 where: short stacking energy: -762.936 Base-Backbone interact. energy: 0.895 local terms energy: -757.495865 where: bonds (distance) C4'-P energy: -117.433 bonds (distance) P-C4' energy: -146.733 flat angles C4'-P-C4' energy: -164.253 flat angles P-C4'-P energy: -106.342 tors. eta vs tors. theta energy: -222.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2593.605520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.605520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.605520 (E_RNA) where: Base-Base interactions energy: -1824.758 where: short stacking energy: -745.830 Base-Backbone interact. energy: -1.598 local terms energy: -767.250274 where: bonds (distance) C4'-P energy: -122.634 bonds (distance) P-C4' energy: -144.453 flat angles C4'-P-C4' energy: -164.148 flat angles P-C4'-P energy: -111.338 tors. eta vs tors. theta energy: -224.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2545.569088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.569088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.569088 (E_RNA) where: Base-Base interactions energy: -1778.324 where: short stacking energy: -728.031 Base-Backbone interact. energy: -2.037 local terms energy: -765.207786 where: bonds (distance) C4'-P energy: -121.532 bonds (distance) P-C4' energy: -146.489 flat angles C4'-P-C4' energy: -149.242 flat angles P-C4'-P energy: -115.702 tors. eta vs tors. theta energy: -232.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2446.031850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.031850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.031850 (E_RNA) where: Base-Base interactions energy: -1783.368 where: short stacking energy: -718.108 Base-Backbone interact. energy: 2.793 local terms energy: -665.456697 where: bonds (distance) C4'-P energy: -123.354 bonds (distance) P-C4' energy: -102.614 flat angles C4'-P-C4' energy: -143.304 flat angles P-C4'-P energy: -83.896 tors. eta vs tors. theta energy: -212.289 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: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2378.011597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.011597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.011597 (E_RNA) where: Base-Base interactions energy: -1690.190 where: short stacking energy: -692.670 Base-Backbone interact. energy: -2.195 local terms energy: -685.627121 where: bonds (distance) C4'-P energy: -141.192 bonds (distance) P-C4' energy: -119.093 flat angles C4'-P-C4' energy: -137.021 flat angles P-C4'-P energy: -81.498 tors. eta vs tors. theta energy: -206.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2276.516870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.516870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.516870 (E_RNA) where: Base-Base interactions energy: -1628.799 where: short stacking energy: -662.472 Base-Backbone interact. energy: -1.527 local terms energy: -646.191100 where: bonds (distance) C4'-P energy: -103.557 bonds (distance) P-C4' energy: -99.373 flat angles C4'-P-C4' energy: -136.834 flat angles P-C4'-P energy: -94.411 tors. eta vs tors. theta energy: -212.015 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: 7, replica: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2149.992716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.992716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.992716 (E_RNA) where: Base-Base interactions energy: -1504.750 where: short stacking energy: -609.117 Base-Backbone interact. energy: -1.516 local terms energy: -643.726453 where: bonds (distance) C4'-P energy: -115.386 bonds (distance) P-C4' energy: -109.029 flat angles C4'-P-C4' energy: -138.914 flat angles P-C4'-P energy: -100.986 tors. eta vs tors. theta energy: -179.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1645.386015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.386015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.386015 (E_RNA) where: Base-Base interactions energy: -1115.664 where: short stacking energy: -505.430 Base-Backbone interact. energy: 3.786 local terms energy: -533.508074 where: bonds (distance) C4'-P energy: -120.257 bonds (distance) P-C4' energy: -97.548 flat angles C4'-P-C4' energy: -110.127 flat angles P-C4'-P energy: -74.385 tors. eta vs tors. theta energy: -131.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1184.366011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.366011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.366011 (E_RNA) where: Base-Base interactions energy: -773.398 where: short stacking energy: -348.328 Base-Backbone interact. energy: 2.139 local terms energy: -413.106829 where: bonds (distance) C4'-P energy: -99.750 bonds (distance) P-C4' energy: -103.894 flat angles C4'-P-C4' energy: -90.132 flat angles P-C4'-P energy: -58.852 tors. eta vs tors. theta energy: -60.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -855.732969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.732969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.732969 (E_RNA) where: Base-Base interactions energy: -479.008 where: short stacking energy: -233.652 Base-Backbone interact. energy: 0.738 local terms energy: -377.462307 where: bonds (distance) C4'-P energy: -105.031 bonds (distance) P-C4' energy: -86.578 flat angles C4'-P-C4' energy: -114.925 flat angles P-C4'-P energy: -52.829 tors. eta vs tors. theta energy: -18.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2709.207807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.207807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.207807 (E_RNA) where: Base-Base interactions energy: -1926.638 where: short stacking energy: -731.407 Base-Backbone interact. energy: -1.478 local terms energy: -781.091118 where: bonds (distance) C4'-P energy: -139.120 bonds (distance) P-C4' energy: -140.473 flat angles C4'-P-C4' energy: -160.887 flat angles P-C4'-P energy: -115.860 tors. eta vs tors. theta energy: -224.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2580.455320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.455320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.455320 (E_RNA) where: Base-Base interactions energy: -1848.918 where: short stacking energy: -745.954 Base-Backbone interact. energy: -2.570 local terms energy: -728.967592 where: bonds (distance) C4'-P energy: -108.572 bonds (distance) P-C4' energy: -116.924 flat angles C4'-P-C4' energy: -163.445 flat angles P-C4'-P energy: -105.285 tors. eta vs tors. theta energy: -234.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2535.381242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.381242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.381242 (E_RNA) where: Base-Base interactions energy: -1798.503 where: short stacking energy: -732.801 Base-Backbone interact. energy: -1.034 local terms energy: -735.844625 where: bonds (distance) C4'-P energy: -127.131 bonds (distance) P-C4' energy: -135.477 flat angles C4'-P-C4' energy: -153.212 flat angles P-C4'-P energy: -96.611 tors. eta vs tors. theta energy: -223.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2424.202319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.202319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.202319 (E_RNA) where: Base-Base interactions energy: -1724.752 where: short stacking energy: -718.282 Base-Backbone interact. energy: -1.828 local terms energy: -697.622874 where: bonds (distance) C4'-P energy: -115.723 bonds (distance) P-C4' energy: -121.859 flat angles C4'-P-C4' energy: -149.336 flat angles P-C4'-P energy: -98.227 tors. eta vs tors. theta energy: -212.478 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: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2415.348700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.348700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.348700 (E_RNA) where: Base-Base interactions energy: -1717.877 where: short stacking energy: -698.450 Base-Backbone interact. energy: 1.340 local terms energy: -698.811802 where: bonds (distance) C4'-P energy: -118.326 bonds (distance) P-C4' energy: -112.654 flat angles C4'-P-C4' energy: -148.541 flat angles P-C4'-P energy: -102.783 tors. eta vs tors. theta energy: -216.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2305.859958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.859958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.859958 (E_RNA) where: Base-Base interactions energy: -1635.960 where: short stacking energy: -664.255 Base-Backbone interact. energy: -0.183 local terms energy: -669.716412 where: bonds (distance) C4'-P energy: -108.662 bonds (distance) P-C4' energy: -114.683 flat angles C4'-P-C4' energy: -145.376 flat angles P-C4'-P energy: -90.384 tors. eta vs tors. theta energy: -210.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2144.396277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.396277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.396277 (E_RNA) where: Base-Base interactions energy: -1550.992 where: short stacking energy: -624.304 Base-Backbone interact. energy: 1.303 local terms energy: -594.707709 where: bonds (distance) C4'-P energy: -87.603 bonds (distance) P-C4' energy: -112.117 flat angles C4'-P-C4' energy: -135.109 flat angles P-C4'-P energy: -63.490 tors. eta vs tors. theta energy: -196.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1684.641900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.641900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.641900 (E_RNA) where: Base-Base interactions energy: -1149.760 where: short stacking energy: -497.947 Base-Backbone interact. energy: -2.326 local terms energy: -532.556112 where: bonds (distance) C4'-P energy: -110.889 bonds (distance) P-C4' energy: -103.875 flat angles C4'-P-C4' energy: -121.651 flat angles P-C4'-P energy: -73.049 tors. eta vs tors. theta energy: -123.091 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: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1165.929243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.929243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.929243 (E_RNA) where: Base-Base interactions energy: -748.358 where: short stacking energy: -361.676 Base-Backbone interact. energy: -0.464 local terms energy: -417.107089 where: bonds (distance) C4'-P energy: -107.741 bonds (distance) P-C4' energy: -95.883 flat angles C4'-P-C4' energy: -100.014 flat angles P-C4'-P energy: -49.599 tors. eta vs tors. theta energy: -63.871 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: 10, replica: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -920.899815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.899815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.899815 (E_RNA) where: Base-Base interactions energy: -521.726 where: short stacking energy: -275.799 Base-Backbone interact. energy: -2.086 local terms energy: -397.088330 where: bonds (distance) C4'-P energy: -109.560 bonds (distance) P-C4' energy: -112.637 flat angles C4'-P-C4' energy: -105.796 flat angles P-C4'-P energy: -40.827 tors. eta vs tors. theta energy: -28.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2703.495512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.495512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.495512 (E_RNA) where: Base-Base interactions energy: -1945.789 where: short stacking energy: -755.582 Base-Backbone interact. energy: -2.904 local terms energy: -754.802524 where: bonds (distance) C4'-P energy: -134.505 bonds (distance) P-C4' energy: -141.290 flat angles C4'-P-C4' energy: -150.602 flat angles P-C4'-P energy: -109.357 tors. eta vs tors. theta energy: -219.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2577.788696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.788696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.788696 (E_RNA) where: Base-Base interactions energy: -1835.036 where: short stacking energy: -754.390 Base-Backbone interact. energy: 0.393 local terms energy: -743.145344 where: bonds (distance) C4'-P energy: -125.144 bonds (distance) P-C4' energy: -119.031 flat angles C4'-P-C4' energy: -158.633 flat angles P-C4'-P energy: -100.520 tors. eta vs tors. theta energy: -239.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2518.474474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.474474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.474474 (E_RNA) where: Base-Base interactions energy: -1790.600 where: short stacking energy: -741.029 Base-Backbone interact. energy: -0.800 local terms energy: -727.074458 where: bonds (distance) C4'-P energy: -123.088 bonds (distance) P-C4' energy: -125.167 flat angles C4'-P-C4' energy: -153.519 flat angles P-C4'-P energy: -101.503 tors. eta vs tors. theta energy: -223.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2416.244444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.244444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.244444 (E_RNA) where: Base-Base interactions energy: -1698.957 where: short stacking energy: -661.175 Base-Backbone interact. energy: -1.396 local terms energy: -715.892341 where: bonds (distance) C4'-P energy: -124.370 bonds (distance) P-C4' energy: -126.642 flat angles C4'-P-C4' energy: -141.158 flat angles P-C4'-P energy: -106.404 tors. eta vs tors. theta energy: -217.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2362.533359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.533359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.533359 (E_RNA) where: Base-Base interactions energy: -1685.421 where: short stacking energy: -668.291 Base-Backbone interact. energy: -0.622 local terms energy: -676.491011 where: bonds (distance) C4'-P energy: -103.432 bonds (distance) P-C4' energy: -125.105 flat angles C4'-P-C4' energy: -145.636 flat angles P-C4'-P energy: -95.242 tors. eta vs tors. theta energy: -207.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2283.460846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.460846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.460846 (E_RNA) where: Base-Base interactions energy: -1636.606 where: short stacking energy: -659.132 Base-Backbone interact. energy: 0.941 local terms energy: -647.795823 where: bonds (distance) C4'-P energy: -115.122 bonds (distance) P-C4' energy: -101.155 flat angles C4'-P-C4' energy: -134.164 flat angles P-C4'-P energy: -94.880 tors. eta vs tors. theta energy: -202.475 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: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2054.644579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.644579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.644579 (E_RNA) where: Base-Base interactions energy: -1442.054 where: short stacking energy: -601.638 Base-Backbone interact. energy: 0.291 local terms energy: -612.880976 where: bonds (distance) C4'-P energy: -98.283 bonds (distance) P-C4' energy: -106.563 flat angles C4'-P-C4' energy: -132.973 flat angles P-C4'-P energy: -101.922 tors. eta vs tors. theta energy: -173.140 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: 8, replica: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1657.875622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.875622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.875622 (E_RNA) where: Base-Base interactions energy: -1117.535 where: short stacking energy: -471.112 Base-Backbone interact. energy: -2.513 local terms energy: -537.827372 where: bonds (distance) C4'-P energy: -105.396 bonds (distance) P-C4' energy: -118.301 flat angles C4'-P-C4' energy: -121.734 flat angles P-C4'-P energy: -77.873 tors. eta vs tors. theta energy: -114.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1236.910194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.910194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.910194 (E_RNA) where: Base-Base interactions energy: -787.269 where: short stacking energy: -362.970 Base-Backbone interact. energy: 1.662 local terms energy: -451.303853 where: bonds (distance) C4'-P energy: -96.484 bonds (distance) P-C4' energy: -97.273 flat angles C4'-P-C4' energy: -121.681 flat angles P-C4'-P energy: -54.215 tors. eta vs tors. theta energy: -81.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -901.694717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.694717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.694717 (E_RNA) where: Base-Base interactions energy: -501.618 where: short stacking energy: -256.959 Base-Backbone interact. energy: 8.514 local terms energy: -408.591156 where: bonds (distance) C4'-P energy: -103.886 bonds (distance) P-C4' energy: -115.158 flat angles C4'-P-C4' energy: -105.608 flat angles P-C4'-P energy: -67.251 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: 1, replica: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2689.653289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.653289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.653289 (E_RNA) where: Base-Base interactions energy: -1952.476 where: short stacking energy: -741.900 Base-Backbone interact. energy: 0.636 local terms energy: -737.813279 where: bonds (distance) C4'-P energy: -127.422 bonds (distance) P-C4' energy: -134.790 flat angles C4'-P-C4' energy: -153.832 flat angles P-C4'-P energy: -108.369 tors. eta vs tors. theta energy: -213.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2603.239823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.239823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.239823 (E_RNA) where: Base-Base interactions energy: -1822.817 where: short stacking energy: -760.523 Base-Backbone interact. energy: -1.190 local terms energy: -779.233562 where: bonds (distance) C4'-P energy: -116.523 bonds (distance) P-C4' energy: -141.724 flat angles C4'-P-C4' energy: -159.566 flat angles P-C4'-P energy: -126.360 tors. eta vs tors. theta energy: -235.059 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: 3, replica: 10 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2518.623564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.623564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.623564 (E_RNA) where: Base-Base interactions energy: -1776.923 where: short stacking energy: -730.205 Base-Backbone interact. energy: -1.032 local terms energy: -740.669022 where: bonds (distance) C4'-P energy: -130.171 bonds (distance) P-C4' energy: -143.614 flat angles C4'-P-C4' energy: -149.113 flat angles P-C4'-P energy: -90.321 tors. eta vs tors. theta energy: -227.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2442.944566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.944566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.944566 (E_RNA) where: Base-Base interactions energy: -1726.417 where: short stacking energy: -701.394 Base-Backbone interact. energy: -1.358 local terms energy: -715.170165 where: bonds (distance) C4'-P energy: -121.855 bonds (distance) P-C4' energy: -136.932 flat angles C4'-P-C4' energy: -150.922 flat angles P-C4'-P energy: -89.817 tors. eta vs tors. theta energy: -215.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2348.088075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.088075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.088075 (E_RNA) where: Base-Base interactions energy: -1668.445 where: short stacking energy: -661.788 Base-Backbone interact. energy: -0.721 local terms energy: -678.921642 where: bonds (distance) C4'-P energy: -123.050 bonds (distance) P-C4' energy: -121.063 flat angles C4'-P-C4' energy: -142.862 flat angles P-C4'-P energy: -101.033 tors. eta vs tors. theta energy: -190.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2307.557759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.557759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.557759 (E_RNA) where: Base-Base interactions energy: -1677.762 where: short stacking energy: -673.071 Base-Backbone interact. energy: -0.314 local terms energy: -629.481496 where: bonds (distance) C4'-P energy: -106.180 bonds (distance) P-C4' energy: -82.657 flat angles C4'-P-C4' energy: -143.893 flat angles P-C4'-P energy: -89.535 tors. eta vs tors. theta energy: -207.217 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: 3 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2120.145684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.145684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.145684 (E_RNA) where: Base-Base interactions energy: -1492.933 where: short stacking energy: -616.253 Base-Backbone interact. energy: 2.469 local terms energy: -629.681430 where: bonds (distance) C4'-P energy: -125.601 bonds (distance) P-C4' energy: -113.537 flat angles C4'-P-C4' energy: -133.529 flat angles P-C4'-P energy: -79.154 tors. eta vs tors. theta energy: -177.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1667.969203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.969203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.969203 (E_RNA) where: Base-Base interactions energy: -1135.169 where: short stacking energy: -460.924 Base-Backbone interact. energy: -3.739 local terms energy: -529.061030 where: bonds (distance) C4'-P energy: -92.913 bonds (distance) P-C4' energy: -112.873 flat angles C4'-P-C4' energy: -135.185 flat angles P-C4'-P energy: -76.512 tors. eta vs tors. theta energy: -111.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1249.288668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.288668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.288668 (E_RNA) where: Base-Base interactions energy: -784.616 where: short stacking energy: -382.483 Base-Backbone interact. energy: -1.216 local terms energy: -463.457017 where: bonds (distance) C4'-P energy: -109.308 bonds (distance) P-C4' energy: -108.208 flat angles C4'-P-C4' energy: -113.850 flat angles P-C4'-P energy: -70.780 tors. eta vs tors. theta energy: -61.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -911.960243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.960243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.960243 (E_RNA) where: Base-Base interactions energy: -509.244 where: short stacking energy: -252.021 Base-Backbone interact. energy: -4.027 local terms energy: -398.688942 where: bonds (distance) C4'-P energy: -108.728 bonds (distance) P-C4' energy: -101.093 flat angles C4'-P-C4' energy: -110.883 flat angles P-C4'-P energy: -61.875 tors. eta vs tors. theta energy: -16.110 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: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2709.504626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.504626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.504626 (E_RNA) where: Base-Base interactions energy: -1944.178 where: short stacking energy: -756.341 Base-Backbone interact. energy: -3.773 local terms energy: -761.553307 where: bonds (distance) C4'-P energy: -140.540 bonds (distance) P-C4' energy: -137.687 flat angles C4'-P-C4' energy: -161.282 flat angles P-C4'-P energy: -101.973 tors. eta vs tors. theta energy: -220.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2590.085380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.085380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.085380 (E_RNA) where: Base-Base interactions energy: -1830.125 where: short stacking energy: -772.267 Base-Backbone interact. energy: -0.298 local terms energy: -759.662172 where: bonds (distance) C4'-P energy: -139.767 bonds (distance) P-C4' energy: -130.534 flat angles C4'-P-C4' energy: -144.633 flat angles P-C4'-P energy: -109.680 tors. eta vs tors. theta energy: -235.048 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: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2521.926783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.926783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.926783 (E_RNA) where: Base-Base interactions energy: -1781.605 where: short stacking energy: -726.023 Base-Backbone interact. energy: -1.273 local terms energy: -739.048018 where: bonds (distance) C4'-P energy: -121.742 bonds (distance) P-C4' energy: -124.758 flat angles C4'-P-C4' energy: -154.772 flat angles P-C4'-P energy: -115.304 tors. eta vs tors. theta energy: -222.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2459.026132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.026132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.026132 (E_RNA) where: Base-Base interactions energy: -1746.120 where: short stacking energy: -705.933 Base-Backbone interact. energy: -3.865 local terms energy: -709.041514 where: bonds (distance) C4'-P energy: -112.668 bonds (distance) P-C4' energy: -137.384 flat angles C4'-P-C4' energy: -143.431 flat angles P-C4'-P energy: -107.069 tors. eta vs tors. theta energy: -208.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2382.244482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.244482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.244482 (E_RNA) where: Base-Base interactions energy: -1714.655 where: short stacking energy: -682.867 Base-Backbone interact. energy: -0.149 local terms energy: -667.440216 where: bonds (distance) C4'-P energy: -123.553 bonds (distance) P-C4' energy: -111.009 flat angles C4'-P-C4' energy: -136.326 flat angles P-C4'-P energy: -95.415 tors. eta vs tors. theta energy: -201.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2290.005037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.005037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.005037 (E_RNA) where: Base-Base interactions energy: -1647.740 where: short stacking energy: -671.713 Base-Backbone interact. energy: 1.840 local terms energy: -644.105401 where: bonds (distance) C4'-P energy: -93.364 bonds (distance) P-C4' energy: -127.156 flat angles C4'-P-C4' energy: -140.189 flat angles P-C4'-P energy: -89.080 tors. eta vs tors. theta energy: -194.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2118.086212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.086212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.086212 (E_RNA) where: Base-Base interactions energy: -1535.537 where: short stacking energy: -616.720 Base-Backbone interact. energy: -1.282 local terms energy: -581.267474 where: bonds (distance) C4'-P energy: -99.745 bonds (distance) P-C4' energy: -94.930 flat angles C4'-P-C4' energy: -126.133 flat angles P-C4'-P energy: -85.605 tors. eta vs tors. theta energy: -174.854 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: 8, replica: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1642.586398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.586398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.586398 (E_RNA) where: Base-Base interactions energy: -1138.264 where: short stacking energy: -469.600 Base-Backbone interact. energy: 1.227 local terms energy: -505.548925 where: bonds (distance) C4'-P energy: -99.292 bonds (distance) P-C4' energy: -106.032 flat angles C4'-P-C4' energy: -110.277 flat angles P-C4'-P energy: -71.202 tors. eta vs tors. theta energy: -118.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1242.245261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.245261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.245261 (E_RNA) where: Base-Base interactions energy: -801.478 where: short stacking energy: -375.874 Base-Backbone interact. energy: -1.537 local terms energy: -439.230327 where: bonds (distance) C4'-P energy: -107.253 bonds (distance) P-C4' energy: -89.802 flat angles C4'-P-C4' energy: -93.469 flat angles P-C4'-P energy: -78.496 tors. eta vs tors. theta energy: -70.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -831.262089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.262089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.262089 (E_RNA) where: Base-Base interactions energy: -451.656 where: short stacking energy: -213.626 Base-Backbone interact. energy: 0.407 local terms energy: -380.012938 where: bonds (distance) C4'-P energy: -108.848 bonds (distance) P-C4' energy: -137.630 flat angles C4'-P-C4' energy: -78.692 flat angles P-C4'-P energy: -55.014 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: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2746.518455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.518455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.518455 (E_RNA) where: Base-Base interactions energy: -1979.165 where: short stacking energy: -772.116 Base-Backbone interact. energy: -5.014 local terms energy: -762.340415 where: bonds (distance) C4'-P energy: -138.508 bonds (distance) P-C4' energy: -126.366 flat angles C4'-P-C4' energy: -167.694 flat angles P-C4'-P energy: -105.736 tors. eta vs tors. theta energy: -224.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2612.983279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.983279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.983279 (E_RNA) where: Base-Base interactions energy: -1858.127 where: short stacking energy: -764.162 Base-Backbone interact. energy: -1.752 local terms energy: -753.104196 where: bonds (distance) C4'-P energy: -133.681 bonds (distance) P-C4' energy: -131.677 flat angles C4'-P-C4' energy: -155.535 flat angles P-C4'-P energy: -102.059 tors. eta vs tors. theta energy: -230.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2541.519901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.519901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.519901 (E_RNA) where: Base-Base interactions energy: -1807.699 where: short stacking energy: -744.050 Base-Backbone interact. energy: -0.085 local terms energy: -733.735740 where: bonds (distance) C4'-P energy: -127.741 bonds (distance) P-C4' energy: -125.576 flat angles C4'-P-C4' energy: -145.399 flat angles P-C4'-P energy: -108.381 tors. eta vs tors. theta energy: -226.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2424.210172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.210172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.210172 (E_RNA) where: Base-Base interactions energy: -1742.235 where: short stacking energy: -710.179 Base-Backbone interact. energy: -3.746 local terms energy: -678.229595 where: bonds (distance) C4'-P energy: -123.140 bonds (distance) P-C4' energy: -100.061 flat angles C4'-P-C4' energy: -139.219 flat angles P-C4'-P energy: -100.657 tors. eta vs tors. theta energy: -215.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2336.920166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.920166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.920166 (E_RNA) where: Base-Base interactions energy: -1672.321 where: short stacking energy: -670.184 Base-Backbone interact. energy: 0.053 local terms energy: -664.652333 where: bonds (distance) C4'-P energy: -108.344 bonds (distance) P-C4' energy: -112.464 flat angles C4'-P-C4' energy: -156.961 flat angles P-C4'-P energy: -90.519 tors. eta vs tors. theta energy: -196.365 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: 6, replica: 9 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2310.047727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.047727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.047727 (E_RNA) where: Base-Base interactions energy: -1649.196 where: short stacking energy: -659.447 Base-Backbone interact. energy: -0.093 local terms energy: -660.759183 where: bonds (distance) C4'-P energy: -88.554 bonds (distance) P-C4' energy: -124.399 flat angles C4'-P-C4' energy: -148.364 flat angles P-C4'-P energy: -83.483 tors. eta vs tors. theta energy: -215.959 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: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2107.516551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.516551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.516551 (E_RNA) where: Base-Base interactions energy: -1482.983 where: short stacking energy: -597.979 Base-Backbone interact. energy: -0.288 local terms energy: -624.245347 where: bonds (distance) C4'-P energy: -117.964 bonds (distance) P-C4' energy: -103.508 flat angles C4'-P-C4' energy: -137.793 flat angles P-C4'-P energy: -86.400 tors. eta vs tors. theta energy: -178.580 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: 326 Temperature: 1.250000 Total energy: -1681.132772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.132772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.132772 (E_RNA) where: Base-Base interactions energy: -1131.017 where: short stacking energy: -485.529 Base-Backbone interact. energy: -2.290 local terms energy: -547.825834 where: bonds (distance) C4'-P energy: -92.650 bonds (distance) P-C4' energy: -96.801 flat angles C4'-P-C4' energy: -129.578 flat angles P-C4'-P energy: -76.989 tors. eta vs tors. theta energy: -151.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1286.205728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.205728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.205728 (E_RNA) where: Base-Base interactions energy: -830.105 where: short stacking energy: -376.654 Base-Backbone interact. energy: -0.278 local terms energy: -455.822381 where: bonds (distance) C4'-P energy: -110.435 bonds (distance) P-C4' energy: -92.430 flat angles C4'-P-C4' energy: -106.613 flat angles P-C4'-P energy: -66.126 tors. eta vs tors. theta energy: -80.218 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: 6 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -824.433547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.433547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.433547 (E_RNA) where: Base-Base interactions energy: -470.480 where: short stacking energy: -238.315 Base-Backbone interact. energy: -1.381 local terms energy: -352.573325 where: bonds (distance) C4'-P energy: -102.083 bonds (distance) P-C4' energy: -90.310 flat angles C4'-P-C4' energy: -97.682 flat angles P-C4'-P energy: -50.165 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: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2711.360865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.360865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.360865 (E_RNA) where: Base-Base interactions energy: -1958.448 where: short stacking energy: -766.841 Base-Backbone interact. energy: -2.014 local terms energy: -750.899552 where: bonds (distance) C4'-P energy: -132.689 bonds (distance) P-C4' energy: -134.740 flat angles C4'-P-C4' energy: -156.324 flat angles P-C4'-P energy: -104.012 tors. eta vs tors. theta energy: -223.135 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: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2616.645344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.645344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.645344 (E_RNA) where: Base-Base interactions energy: -1858.151 where: short stacking energy: -766.118 Base-Backbone interact. energy: -0.746 local terms energy: -757.748401 where: bonds (distance) C4'-P energy: -116.233 bonds (distance) P-C4' energy: -128.913 flat angles C4'-P-C4' energy: -163.268 flat angles P-C4'-P energy: -110.369 tors. eta vs tors. theta energy: -238.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2543.531684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.531684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.531684 (E_RNA) where: Base-Base interactions energy: -1822.263 where: short stacking energy: -751.428 Base-Backbone interact. energy: -1.065 local terms energy: -720.203656 where: bonds (distance) C4'-P energy: -124.026 bonds (distance) P-C4' energy: -111.493 flat angles C4'-P-C4' energy: -155.544 flat angles P-C4'-P energy: -101.720 tors. eta vs tors. theta energy: -227.421 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: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2461.599239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.599239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.599239 (E_RNA) where: Base-Base interactions energy: -1772.953 where: short stacking energy: -701.380 Base-Backbone interact. energy: -0.882 local terms energy: -687.764354 where: bonds (distance) C4'-P energy: -101.554 bonds (distance) P-C4' energy: -136.332 flat angles C4'-P-C4' energy: -141.895 flat angles P-C4'-P energy: -104.773 tors. eta vs tors. theta energy: -203.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2370.652073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.652073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.652073 (E_RNA) where: Base-Base interactions energy: -1686.477 where: short stacking energy: -684.102 Base-Backbone interact. energy: 0.652 local terms energy: -684.827255 where: bonds (distance) C4'-P energy: -121.333 bonds (distance) P-C4' energy: -110.641 flat angles C4'-P-C4' energy: -148.766 flat angles P-C4'-P energy: -100.794 tors. eta vs tors. theta energy: -203.293 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: 9 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2286.243511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.243511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.243511 (E_RNA) where: Base-Base interactions energy: -1628.057 where: short stacking energy: -649.140 Base-Backbone interact. energy: -0.469 local terms energy: -657.717351 where: bonds (distance) C4'-P energy: -106.982 bonds (distance) P-C4' energy: -118.231 flat angles C4'-P-C4' energy: -145.030 flat angles P-C4'-P energy: -87.041 tors. eta vs tors. theta energy: -200.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2161.949833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.949833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.949833 (E_RNA) where: Base-Base interactions energy: -1480.616 where: short stacking energy: -605.952 Base-Backbone interact. energy: -0.382 local terms energy: -680.952255 where: bonds (distance) C4'-P energy: -124.412 bonds (distance) P-C4' energy: -122.375 flat angles C4'-P-C4' energy: -141.404 flat angles P-C4'-P energy: -100.461 tors. eta vs tors. theta energy: -192.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1706.138817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.138817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.138817 (E_RNA) where: Base-Base interactions energy: -1150.016 where: short stacking energy: -477.833 Base-Backbone interact. energy: 2.257 local terms energy: -558.379414 where: bonds (distance) C4'-P energy: -102.939 bonds (distance) P-C4' energy: -125.607 flat angles C4'-P-C4' energy: -131.497 flat angles P-C4'-P energy: -66.932 tors. eta vs tors. theta energy: -131.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1245.084115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.084115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.084115 (E_RNA) where: Base-Base interactions energy: -776.467 where: short stacking energy: -357.751 Base-Backbone interact. energy: -0.192 local terms energy: -468.425457 where: bonds (distance) C4'-P energy: -113.084 bonds (distance) P-C4' energy: -110.059 flat angles C4'-P-C4' energy: -113.237 flat angles P-C4'-P energy: -61.346 tors. eta vs tors. theta energy: -70.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -874.929375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.929375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.929375 (E_RNA) where: Base-Base interactions energy: -527.103 where: short stacking energy: -265.320 Base-Backbone interact. energy: 7.895 local terms energy: -355.721211 where: bonds (distance) C4'-P energy: -86.883 bonds (distance) P-C4' energy: -115.596 flat angles C4'-P-C4' energy: -91.223 flat angles P-C4'-P energy: -51.637 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: 1, replica: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2694.799092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.799092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.799092 (E_RNA) where: Base-Base interactions energy: -1930.809 where: short stacking energy: -760.876 Base-Backbone interact. energy: 1.056 local terms energy: -765.046164 where: bonds (distance) C4'-P energy: -140.107 bonds (distance) P-C4' energy: -138.794 flat angles C4'-P-C4' energy: -158.749 flat angles P-C4'-P energy: -113.823 tors. eta vs tors. theta energy: -213.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2616.452912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.452912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.452912 (E_RNA) where: Base-Base interactions energy: -1854.642 where: short stacking energy: -760.856 Base-Backbone interact. energy: 0.933 local terms energy: -762.743478 where: bonds (distance) C4'-P energy: -124.961 bonds (distance) P-C4' energy: -133.561 flat angles C4'-P-C4' energy: -159.333 flat angles P-C4'-P energy: -109.010 tors. eta vs tors. theta energy: -235.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2517.030651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.030651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.030651 (E_RNA) where: Base-Base interactions energy: -1777.083 where: short stacking energy: -733.752 Base-Backbone interact. energy: -0.099 local terms energy: -739.848660 where: bonds (distance) C4'-P energy: -125.491 bonds (distance) P-C4' energy: -124.284 flat angles C4'-P-C4' energy: -164.294 flat angles P-C4'-P energy: -98.400 tors. eta vs tors. theta energy: -227.380 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: 4, replica: 10 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2487.618072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.618072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.618072 (E_RNA) where: Base-Base interactions energy: -1777.728 where: short stacking energy: -724.495 Base-Backbone interact. energy: -1.090 local terms energy: -708.800661 where: bonds (distance) C4'-P energy: -120.470 bonds (distance) P-C4' energy: -111.087 flat angles C4'-P-C4' energy: -153.200 flat angles P-C4'-P energy: -88.605 tors. eta vs tors. theta energy: -235.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2376.318502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.318502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.318502 (E_RNA) where: Base-Base interactions energy: -1714.036 where: short stacking energy: -701.220 Base-Backbone interact. energy: 1.495 local terms energy: -663.777670 where: bonds (distance) C4'-P energy: -99.964 bonds (distance) P-C4' energy: -112.133 flat angles C4'-P-C4' energy: -148.232 flat angles P-C4'-P energy: -97.394 tors. eta vs tors. theta energy: -206.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2316.164030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.164030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.164030 (E_RNA) where: Base-Base interactions energy: -1627.904 where: short stacking energy: -668.542 Base-Backbone interact. energy: -0.491 local terms energy: -687.769147 where: bonds (distance) C4'-P energy: -133.468 bonds (distance) P-C4' energy: -122.896 flat angles C4'-P-C4' energy: -139.746 flat angles P-C4'-P energy: -83.296 tors. eta vs tors. theta energy: -208.363 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: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2120.833267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.833267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.833267 (E_RNA) where: Base-Base interactions energy: -1510.199 where: short stacking energy: -616.116 Base-Backbone interact. energy: 0.574 local terms energy: -611.207547 where: bonds (distance) C4'-P energy: -123.475 bonds (distance) P-C4' energy: -108.163 flat angles C4'-P-C4' energy: -132.550 flat angles P-C4'-P energy: -63.749 tors. eta vs tors. theta energy: -183.270 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: 328 Temperature: 1.250000 Total energy: -1748.462208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.462208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.462208 (E_RNA) where: Base-Base interactions energy: -1176.840 where: short stacking energy: -508.080 Base-Backbone interact. energy: -1.003 local terms energy: -570.619392 where: bonds (distance) C4'-P energy: -111.499 bonds (distance) P-C4' energy: -104.401 flat angles C4'-P-C4' energy: -133.316 flat angles P-C4'-P energy: -76.989 tors. eta vs tors. theta energy: -144.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1217.223316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.223316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.223316 (E_RNA) where: Base-Base interactions energy: -765.611 where: short stacking energy: -348.913 Base-Backbone interact. energy: -0.382 local terms energy: -451.230202 where: bonds (distance) C4'-P energy: -102.215 bonds (distance) P-C4' energy: -106.200 flat angles C4'-P-C4' energy: -123.899 flat angles P-C4'-P energy: -56.805 tors. eta vs tors. theta energy: -62.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -869.952009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.952009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.952009 (E_RNA) where: Base-Base interactions energy: -477.652 where: short stacking energy: -243.447 Base-Backbone interact. energy: -0.295 local terms energy: -392.005732 where: bonds (distance) C4'-P energy: -105.305 bonds (distance) P-C4' energy: -110.027 flat angles C4'-P-C4' energy: -101.357 flat angles P-C4'-P energy: -60.238 tors. eta vs tors. theta energy: -15.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2703.080968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.080968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.080968 (E_RNA) where: Base-Base interactions energy: -1934.353 where: short stacking energy: -746.007 Base-Backbone interact. energy: 3.222 local terms energy: -771.949698 where: bonds (distance) C4'-P energy: -138.025 bonds (distance) P-C4' energy: -130.696 flat angles C4'-P-C4' energy: -159.438 flat angles P-C4'-P energy: -119.634 tors. eta vs tors. theta energy: -224.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2621.234851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.234851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.234851 (E_RNA) where: Base-Base interactions energy: -1839.772 where: short stacking energy: -742.639 Base-Backbone interact. energy: -1.517 local terms energy: -779.945238 where: bonds (distance) C4'-P energy: -139.658 bonds (distance) P-C4' energy: -135.623 flat angles C4'-P-C4' energy: -158.797 flat angles P-C4'-P energy: -111.314 tors. eta vs tors. theta energy: -234.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2508.651947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.651947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.651947 (E_RNA) where: Base-Base interactions energy: -1800.232 where: short stacking energy: -721.722 Base-Backbone interact. energy: -1.456 local terms energy: -706.963820 where: bonds (distance) C4'-P energy: -112.749 bonds (distance) P-C4' energy: -127.381 flat angles C4'-P-C4' energy: -147.007 flat angles P-C4'-P energy: -104.813 tors. eta vs tors. theta energy: -215.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2503.557970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.557970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.557970 (E_RNA) where: Base-Base interactions energy: -1776.496 where: short stacking energy: -742.377 Base-Backbone interact. energy: 1.345 local terms energy: -728.407204 where: bonds (distance) C4'-P energy: -114.508 bonds (distance) P-C4' energy: -117.572 flat angles C4'-P-C4' energy: -152.216 flat angles P-C4'-P energy: -110.144 tors. eta vs tors. theta energy: -233.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2377.354463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.354463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.354463 (E_RNA) where: Base-Base interactions energy: -1685.420 where: short stacking energy: -663.054 Base-Backbone interact. energy: -1.623 local terms energy: -690.311556 where: bonds (distance) C4'-P energy: -126.518 bonds (distance) P-C4' energy: -130.284 flat angles C4'-P-C4' energy: -144.151 flat angles P-C4'-P energy: -91.604 tors. eta vs tors. theta energy: -197.754 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: 9 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2326.435645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.435645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.435645 (E_RNA) where: Base-Base interactions energy: -1677.698 where: short stacking energy: -663.420 Base-Backbone interact. energy: 10.286 local terms energy: -659.023052 where: bonds (distance) C4'-P energy: -108.421 bonds (distance) P-C4' energy: -125.437 flat angles C4'-P-C4' energy: -132.377 flat angles P-C4'-P energy: -86.359 tors. eta vs tors. theta energy: -206.429 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: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2169.181467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.181467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.181467 (E_RNA) where: Base-Base interactions energy: -1539.806 where: short stacking energy: -612.164 Base-Backbone interact. energy: -0.456 local terms energy: -628.919406 where: bonds (distance) C4'-P energy: -109.153 bonds (distance) P-C4' energy: -110.770 flat angles C4'-P-C4' energy: -142.286 flat angles P-C4'-P energy: -87.237 tors. eta vs tors. theta energy: -179.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1772.056411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.056411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.056411 (E_RNA) where: Base-Base interactions energy: -1200.482 where: short stacking energy: -521.417 Base-Backbone interact. energy: -1.854 local terms energy: -569.720741 where: bonds (distance) C4'-P energy: -107.852 bonds (distance) P-C4' energy: -112.121 flat angles C4'-P-C4' energy: -135.194 flat angles P-C4'-P energy: -76.117 tors. eta vs tors. theta energy: -138.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1230.398917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.398917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.398917 (E_RNA) where: Base-Base interactions energy: -766.137 where: short stacking energy: -346.326 Base-Backbone interact. energy: -0.992 local terms energy: -463.269419 where: bonds (distance) C4'-P energy: -104.555 bonds (distance) P-C4' energy: -121.910 flat angles C4'-P-C4' energy: -93.132 flat angles P-C4'-P energy: -81.168 tors. eta vs tors. theta energy: -62.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -923.687572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.687572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.687572 (E_RNA) where: Base-Base interactions energy: -546.066 where: short stacking energy: -260.527 Base-Backbone interact. energy: 4.789 local terms energy: -382.410868 where: bonds (distance) C4'-P energy: -88.510 bonds (distance) P-C4' energy: -122.421 flat angles C4'-P-C4' energy: -87.963 flat angles P-C4'-P energy: -50.450 tors. eta vs tors. theta energy: -33.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2690.579570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.579570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.579570 (E_RNA) where: Base-Base interactions energy: -1948.884 where: short stacking energy: -752.441 Base-Backbone interact. energy: -2.181 local terms energy: -739.514461 where: bonds (distance) C4'-P energy: -115.013 bonds (distance) P-C4' energy: -140.161 flat angles C4'-P-C4' energy: -147.778 flat angles P-C4'-P energy: -110.671 tors. eta vs tors. theta energy: -225.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2587.140148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.140148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.140148 (E_RNA) where: Base-Base interactions energy: -1829.730 where: short stacking energy: -759.154 Base-Backbone interact. energy: -0.675 local terms energy: -756.734540 where: bonds (distance) C4'-P energy: -124.824 bonds (distance) P-C4' energy: -146.451 flat angles C4'-P-C4' energy: -153.912 flat angles P-C4'-P energy: -95.383 tors. eta vs tors. theta energy: -236.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2515.804622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.804622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.804622 (E_RNA) where: Base-Base interactions energy: -1768.971 where: short stacking energy: -731.636 Base-Backbone interact. energy: -3.022 local terms energy: -743.811441 where: bonds (distance) C4'-P energy: -134.282 bonds (distance) P-C4' energy: -135.330 flat angles C4'-P-C4' energy: -152.631 flat angles P-C4'-P energy: -97.363 tors. eta vs tors. theta energy: -224.205 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: 330 Temperature: 1.050000 Total energy: -2481.678279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.678279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.678279 (E_RNA) where: Base-Base interactions energy: -1757.650 where: short stacking energy: -723.722 Base-Backbone interact. energy: 0.701 local terms energy: -724.729419 where: bonds (distance) C4'-P energy: -123.948 bonds (distance) P-C4' energy: -135.268 flat angles C4'-P-C4' energy: -153.112 flat angles P-C4'-P energy: -93.356 tors. eta vs tors. theta energy: -219.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2350.885664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.885664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.885664 (E_RNA) where: Base-Base interactions energy: -1674.375 where: short stacking energy: -690.389 Base-Backbone interact. energy: 2.757 local terms energy: -679.268069 where: bonds (distance) C4'-P energy: -123.406 bonds (distance) P-C4' energy: -112.021 flat angles C4'-P-C4' energy: -146.031 flat angles P-C4'-P energy: -91.419 tors. eta vs tors. theta energy: -206.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2265.616910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.616910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.616910 (E_RNA) where: Base-Base interactions energy: -1646.003 where: short stacking energy: -642.456 Base-Backbone interact. energy: 3.147 local terms energy: -622.760798 where: bonds (distance) C4'-P energy: -108.655 bonds (distance) P-C4' energy: -108.364 flat angles C4'-P-C4' energy: -128.290 flat angles P-C4'-P energy: -87.863 tors. eta vs tors. theta energy: -189.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -2169.829751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.829751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.829751 (E_RNA) where: Base-Base interactions energy: -1557.813 where: short stacking energy: -639.028 Base-Backbone interact. energy: -1.525 local terms energy: -610.491399 where: bonds (distance) C4'-P energy: -113.094 bonds (distance) P-C4' energy: -102.959 flat angles C4'-P-C4' energy: -116.233 flat angles P-C4'-P energy: -93.299 tors. eta vs tors. theta energy: -184.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1708.184247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.184247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.184247 (E_RNA) where: Base-Base interactions energy: -1176.414 where: short stacking energy: -506.309 Base-Backbone interact. energy: -1.873 local terms energy: -529.896970 where: bonds (distance) C4'-P energy: -98.652 bonds (distance) P-C4' energy: -87.380 flat angles C4'-P-C4' energy: -118.426 flat angles P-C4'-P energy: -92.394 tors. eta vs tors. theta energy: -133.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1250.871081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.871081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.871081 (E_RNA) where: Base-Base interactions energy: -815.597 where: short stacking energy: -375.048 Base-Backbone interact. energy: 0.021 local terms energy: -435.295166 where: bonds (distance) C4'-P energy: -91.952 bonds (distance) P-C4' energy: -107.497 flat angles C4'-P-C4' energy: -115.029 flat angles P-C4'-P energy: -56.406 tors. eta vs tors. theta energy: -64.410 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: 6 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -887.542013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.542013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.542013 (E_RNA) where: Base-Base interactions energy: -506.912 where: short stacking energy: -222.815 Base-Backbone interact. energy: 1.767 local terms energy: -382.397235 where: bonds (distance) C4'-P energy: -100.148 bonds (distance) P-C4' energy: -102.785 flat angles C4'-P-C4' energy: -101.962 flat angles P-C4'-P energy: -72.098 tors. eta vs tors. theta energy: -5.405 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: 1, replica: 8 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2712.425976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.425976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.425976 (E_RNA) where: Base-Base interactions energy: -1952.647 where: short stacking energy: -743.056 Base-Backbone interact. energy: 0.615 local terms energy: -760.394401 where: bonds (distance) C4'-P energy: -144.814 bonds (distance) P-C4' energy: -125.938 flat angles C4'-P-C4' energy: -156.259 flat angles P-C4'-P energy: -108.127 tors. eta vs tors. theta energy: -225.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2597.934569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.934569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.934569 (E_RNA) where: Base-Base interactions energy: -1847.593 where: short stacking energy: -777.159 Base-Backbone interact. energy: -0.845 local terms energy: -749.497090 where: bonds (distance) C4'-P energy: -140.198 bonds (distance) P-C4' energy: -122.484 flat angles C4'-P-C4' energy: -151.909 flat angles P-C4'-P energy: -93.921 tors. eta vs tors. theta energy: -240.985 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: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2493.667450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.667450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.667450 (E_RNA) where: Base-Base interactions energy: -1786.057 where: short stacking energy: -729.768 Base-Backbone interact. energy: -1.767 local terms energy: -705.842973 where: bonds (distance) C4'-P energy: -109.548 bonds (distance) P-C4' energy: -121.827 flat angles C4'-P-C4' energy: -157.884 flat angles P-C4'-P energy: -101.419 tors. eta vs tors. theta energy: -215.164 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: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2497.713396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.713396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.713396 (E_RNA) where: Base-Base interactions energy: -1762.827 where: short stacking energy: -743.091 Base-Backbone interact. energy: -0.498 local terms energy: -734.388843 where: bonds (distance) C4'-P energy: -125.058 bonds (distance) P-C4' energy: -132.343 flat angles C4'-P-C4' energy: -146.421 flat angles P-C4'-P energy: -96.102 tors. eta vs tors. theta energy: -234.465 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: 5, replica: 9 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2429.429885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.429885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.429885 (E_RNA) where: Base-Base interactions energy: -1719.290 where: short stacking energy: -697.678 Base-Backbone interact. energy: 0.667 local terms energy: -710.806509 where: bonds (distance) C4'-P energy: -134.090 bonds (distance) P-C4' energy: -131.112 flat angles C4'-P-C4' energy: -134.429 flat angles P-C4'-P energy: -93.741 tors. eta vs tors. theta energy: -217.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2252.308641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.308641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.308641 (E_RNA) where: Base-Base interactions energy: -1589.270 where: short stacking energy: -661.569 Base-Backbone interact. energy: -0.142 local terms energy: -662.897091 where: bonds (distance) C4'-P energy: -115.223 bonds (distance) P-C4' energy: -109.659 flat angles C4'-P-C4' energy: -149.578 flat angles P-C4'-P energy: -87.254 tors. eta vs tors. theta energy: -201.183 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: 7, replica: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2111.408746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.408746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.408746 (E_RNA) where: Base-Base interactions energy: -1498.249 where: short stacking energy: -620.056 Base-Backbone interact. energy: 0.767 local terms energy: -613.926582 where: bonds (distance) C4'-P energy: -102.559 bonds (distance) P-C4' energy: -114.571 flat angles C4'-P-C4' energy: -133.971 flat angles P-C4'-P energy: -80.351 tors. eta vs tors. theta energy: -182.474 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: 5 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1796.798235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.798235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.798235 (E_RNA) where: Base-Base interactions energy: -1254.892 where: short stacking energy: -554.805 Base-Backbone interact. energy: -1.359 local terms energy: -540.547464 where: bonds (distance) C4'-P energy: -100.637 bonds (distance) P-C4' energy: -116.168 flat angles C4'-P-C4' energy: -117.266 flat angles P-C4'-P energy: -77.644 tors. eta vs tors. theta energy: -128.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1227.784485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.784485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.784485 (E_RNA) where: Base-Base interactions energy: -757.330 where: short stacking energy: -366.380 Base-Backbone interact. energy: -3.584 local terms energy: -466.869690 where: bonds (distance) C4'-P energy: -105.622 bonds (distance) P-C4' energy: -124.320 flat angles C4'-P-C4' energy: -98.736 flat angles P-C4'-P energy: -75.614 tors. eta vs tors. theta energy: -62.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -861.807980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.807980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.807980 (E_RNA) where: Base-Base interactions energy: -532.200 where: short stacking energy: -249.895 Base-Backbone interact. energy: -1.012 local terms energy: -328.595285 where: bonds (distance) C4'-P energy: -96.401 bonds (distance) P-C4' energy: -103.705 flat angles C4'-P-C4' energy: -78.951 flat angles P-C4'-P energy: -52.700 tors. eta vs tors. theta energy: 3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2710.944805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.944805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.944805 (E_RNA) where: Base-Base interactions energy: -1946.447 where: short stacking energy: -745.473 Base-Backbone interact. energy: -2.801 local terms energy: -761.697610 where: bonds (distance) C4'-P energy: -125.368 bonds (distance) P-C4' energy: -137.853 flat angles C4'-P-C4' energy: -159.257 flat angles P-C4'-P energy: -112.557 tors. eta vs tors. theta energy: -226.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2589.939676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.939676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.939676 (E_RNA) where: Base-Base interactions energy: -1809.507 where: short stacking energy: -755.855 Base-Backbone interact. energy: -2.925 local terms energy: -777.507201 where: bonds (distance) C4'-P energy: -137.954 bonds (distance) P-C4' energy: -128.128 flat angles C4'-P-C4' energy: -163.514 flat angles P-C4'-P energy: -106.968 tors. eta vs tors. theta energy: -240.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2512.678118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.678118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.678118 (E_RNA) where: Base-Base interactions energy: -1764.481 where: short stacking energy: -734.933 Base-Backbone interact. energy: -1.166 local terms energy: -747.031864 where: bonds (distance) C4'-P energy: -138.264 bonds (distance) P-C4' energy: -134.383 flat angles C4'-P-C4' energy: -155.722 flat angles P-C4'-P energy: -102.511 tors. eta vs tors. theta energy: -216.153 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: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2433.759920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.759920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.759920 (E_RNA) where: Base-Base interactions energy: -1755.897 where: short stacking energy: -722.450 Base-Backbone interact. energy: -2.419 local terms energy: -675.444638 where: bonds (distance) C4'-P energy: -117.779 bonds (distance) P-C4' energy: -96.900 flat angles C4'-P-C4' energy: -147.911 flat angles P-C4'-P energy: -96.950 tors. eta vs tors. theta energy: -215.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2419.851775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.851775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.851775 (E_RNA) where: Base-Base interactions energy: -1736.107 where: short stacking energy: -689.987 Base-Backbone interact. energy: -0.578 local terms energy: -683.166146 where: bonds (distance) C4'-P energy: -108.639 bonds (distance) P-C4' energy: -124.432 flat angles C4'-P-C4' energy: -144.716 flat angles P-C4'-P energy: -96.490 tors. eta vs tors. theta energy: -208.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2357.037870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.037870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.037870 (E_RNA) where: Base-Base interactions energy: -1660.352 where: short stacking energy: -671.384 Base-Backbone interact. energy: 3.957 local terms energy: -700.642485 where: bonds (distance) C4'-P energy: -128.799 bonds (distance) P-C4' energy: -110.200 flat angles C4'-P-C4' energy: -151.990 flat angles P-C4'-P energy: -90.351 tors. eta vs tors. theta energy: -219.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2129.066783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.066783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.066783 (E_RNA) where: Base-Base interactions energy: -1515.507 where: short stacking energy: -619.680 Base-Backbone interact. energy: 2.386 local terms energy: -615.945177 where: bonds (distance) C4'-P energy: -100.470 bonds (distance) P-C4' energy: -125.376 flat angles C4'-P-C4' energy: -135.226 flat angles P-C4'-P energy: -81.038 tors. eta vs tors. theta energy: -173.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1803.812702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.812702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.812702 (E_RNA) where: Base-Base interactions energy: -1255.002 where: short stacking energy: -523.557 Base-Backbone interact. energy: 4.157 local terms energy: -552.967713 where: bonds (distance) C4'-P energy: -96.695 bonds (distance) P-C4' energy: -123.313 flat angles C4'-P-C4' energy: -117.092 flat angles P-C4'-P energy: -81.300 tors. eta vs tors. theta energy: -134.568 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: 9, replica: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1276.250830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.250830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.250830 (E_RNA) where: Base-Base interactions energy: -803.965 where: short stacking energy: -385.114 Base-Backbone interact. energy: -0.431 local terms energy: -471.855454 where: bonds (distance) C4'-P energy: -110.510 bonds (distance) P-C4' energy: -118.811 flat angles C4'-P-C4' energy: -107.264 flat angles P-C4'-P energy: -69.138 tors. eta vs tors. theta energy: -66.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -901.597997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.597997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.597997 (E_RNA) where: Base-Base interactions energy: -519.352 where: short stacking energy: -275.124 Base-Backbone interact. energy: 7.412 local terms energy: -389.657828 where: bonds (distance) C4'-P energy: -100.226 bonds (distance) P-C4' energy: -109.959 flat angles C4'-P-C4' energy: -111.426 flat angles P-C4'-P energy: -58.392 tors. eta vs tors. theta energy: -9.654 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: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2688.591650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.591650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.591650 (E_RNA) where: Base-Base interactions energy: -1937.444 where: short stacking energy: -760.603 Base-Backbone interact. energy: -2.358 local terms energy: -748.789335 where: bonds (distance) C4'-P energy: -140.450 bonds (distance) P-C4' energy: -131.383 flat angles C4'-P-C4' energy: -160.571 flat angles P-C4'-P energy: -97.423 tors. eta vs tors. theta energy: -218.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2568.387679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.387679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.387679 (E_RNA) where: Base-Base interactions energy: -1793.525 where: short stacking energy: -758.054 Base-Backbone interact. energy: -1.136 local terms energy: -773.727048 where: bonds (distance) C4'-P energy: -133.662 bonds (distance) P-C4' energy: -134.373 flat angles C4'-P-C4' energy: -155.247 flat angles P-C4'-P energy: -111.276 tors. eta vs tors. theta energy: -239.169 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: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2550.847433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.847433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.847433 (E_RNA) where: Base-Base interactions energy: -1809.306 where: short stacking energy: -738.040 Base-Backbone interact. energy: 1.783 local terms energy: -743.324773 where: bonds (distance) C4'-P energy: -127.516 bonds (distance) P-C4' energy: -125.626 flat angles C4'-P-C4' energy: -154.965 flat angles P-C4'-P energy: -102.679 tors. eta vs tors. theta energy: -232.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2454.002710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.002710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.002710 (E_RNA) where: Base-Base interactions energy: -1758.529 where: short stacking energy: -710.707 Base-Backbone interact. energy: -0.519 local terms energy: -694.954360 where: bonds (distance) C4'-P energy: -124.843 bonds (distance) P-C4' energy: -122.286 flat angles C4'-P-C4' energy: -144.906 flat angles P-C4'-P energy: -90.388 tors. eta vs tors. theta energy: -212.531 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: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2417.748078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.748078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.748078 (E_RNA) where: Base-Base interactions energy: -1729.636 where: short stacking energy: -716.253 Base-Backbone interact. energy: -2.494 local terms energy: -685.618021 where: bonds (distance) C4'-P energy: -106.738 bonds (distance) P-C4' energy: -124.546 flat angles C4'-P-C4' energy: -142.667 flat angles P-C4'-P energy: -90.447 tors. eta vs tors. theta energy: -221.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2350.491817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.491817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.491817 (E_RNA) where: Base-Base interactions energy: -1676.152 where: short stacking energy: -674.961 Base-Backbone interact. energy: 1.588 local terms energy: -675.927999 where: bonds (distance) C4'-P energy: -112.127 bonds (distance) P-C4' energy: -112.538 flat angles C4'-P-C4' energy: -149.431 flat angles P-C4'-P energy: -93.916 tors. eta vs tors. theta energy: -207.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2193.234647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.234647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.234647 (E_RNA) where: Base-Base interactions energy: -1576.553 where: short stacking energy: -652.834 Base-Backbone interact. energy: 2.069 local terms energy: -618.750073 where: bonds (distance) C4'-P energy: -93.421 bonds (distance) P-C4' energy: -106.691 flat angles C4'-P-C4' energy: -141.220 flat angles P-C4'-P energy: -88.506 tors. eta vs tors. theta energy: -188.912 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: 8, replica: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1901.522053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.522053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.522053 (E_RNA) where: Base-Base interactions energy: -1308.653 where: short stacking energy: -546.153 Base-Backbone interact. energy: -3.986 local terms energy: -588.883026 where: bonds (distance) C4'-P energy: -104.682 bonds (distance) P-C4' energy: -118.482 flat angles C4'-P-C4' energy: -130.394 flat angles P-C4'-P energy: -79.336 tors. eta vs tors. theta energy: -155.989 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: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1342.772130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.772130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.772130 (E_RNA) where: Base-Base interactions energy: -908.532 where: short stacking energy: -397.167 Base-Backbone interact. energy: -4.434 local terms energy: -429.805458 where: bonds (distance) C4'-P energy: -83.933 bonds (distance) P-C4' energy: -99.016 flat angles C4'-P-C4' energy: -99.538 flat angles P-C4'-P energy: -71.623 tors. eta vs tors. theta energy: -75.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -930.555332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.555332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.555332 (E_RNA) where: Base-Base interactions energy: -556.616 where: short stacking energy: -265.509 Base-Backbone interact. energy: 2.316 local terms energy: -376.255776 where: bonds (distance) C4'-P energy: -101.355 bonds (distance) P-C4' energy: -113.095 flat angles C4'-P-C4' energy: -90.575 flat angles P-C4'-P energy: -51.997 tors. eta vs tors. theta energy: -19.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2713.090937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.090937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.090937 (E_RNA) where: Base-Base interactions energy: -1940.389 where: short stacking energy: -753.803 Base-Backbone interact. energy: -0.638 local terms energy: -772.064057 where: bonds (distance) C4'-P energy: -144.636 bonds (distance) P-C4' energy: -130.811 flat angles C4'-P-C4' energy: -160.124 flat angles P-C4'-P energy: -108.509 tors. eta vs tors. theta energy: -227.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2565.415248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.415248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.415248 (E_RNA) where: Base-Base interactions energy: -1823.286 where: short stacking energy: -749.631 Base-Backbone interact. energy: -0.949 local terms energy: -741.180286 where: bonds (distance) C4'-P energy: -119.306 bonds (distance) P-C4' energy: -135.452 flat angles C4'-P-C4' energy: -159.683 flat angles P-C4'-P energy: -102.623 tors. eta vs tors. theta energy: -224.117 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: 10 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2524.983290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.983290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.983290 (E_RNA) where: Base-Base interactions energy: -1788.412 where: short stacking energy: -746.078 Base-Backbone interact. energy: -1.768 local terms energy: -734.803179 where: bonds (distance) C4'-P energy: -122.394 bonds (distance) P-C4' energy: -132.357 flat angles C4'-P-C4' energy: -151.570 flat angles P-C4'-P energy: -108.440 tors. eta vs tors. theta energy: -220.042 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: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2422.509077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.509077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.509077 (E_RNA) where: Base-Base interactions energy: -1735.574 where: short stacking energy: -698.452 Base-Backbone interact. energy: -0.431 local terms energy: -686.504060 where: bonds (distance) C4'-P energy: -134.482 bonds (distance) P-C4' energy: -108.030 flat angles C4'-P-C4' energy: -144.393 flat angles P-C4'-P energy: -98.148 tors. eta vs tors. theta energy: -201.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2344.773957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.773957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.773957 (E_RNA) where: Base-Base interactions energy: -1667.253 where: short stacking energy: -669.329 Base-Backbone interact. energy: 0.397 local terms energy: -677.918141 where: bonds (distance) C4'-P energy: -132.720 bonds (distance) P-C4' energy: -112.827 flat angles C4'-P-C4' energy: -135.439 flat angles P-C4'-P energy: -107.072 tors. eta vs tors. theta energy: -189.860 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: 9 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2301.984647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.984647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.984647 (E_RNA) where: Base-Base interactions energy: -1665.040 where: short stacking energy: -667.813 Base-Backbone interact. energy: -2.699 local terms energy: -634.246502 where: bonds (distance) C4'-P energy: -104.523 bonds (distance) P-C4' energy: -109.069 flat angles C4'-P-C4' energy: -134.269 flat angles P-C4'-P energy: -82.076 tors. eta vs tors. theta energy: -204.310 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: 3 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2250.381265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.381265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.381265 (E_RNA) where: Base-Base interactions energy: -1596.316 where: short stacking energy: -637.694 Base-Backbone interact. energy: 3.909 local terms energy: -657.974060 where: bonds (distance) C4'-P energy: -106.254 bonds (distance) P-C4' energy: -125.603 flat angles C4'-P-C4' energy: -139.417 flat angles P-C4'-P energy: -79.878 tors. eta vs tors. theta energy: -206.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1933.834752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.834752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.834752 (E_RNA) where: Base-Base interactions energy: -1370.339 where: short stacking energy: -550.960 Base-Backbone interact. energy: 0.081 local terms energy: -563.577120 where: bonds (distance) C4'-P energy: -116.657 bonds (distance) P-C4' energy: -109.875 flat angles C4'-P-C4' energy: -111.665 flat angles P-C4'-P energy: -68.585 tors. eta vs tors. theta energy: -156.795 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: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1361.777003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.777003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.777003 (E_RNA) where: Base-Base interactions energy: -916.805 where: short stacking energy: -401.457 Base-Backbone interact. energy: -5.526 local terms energy: -439.446019 where: bonds (distance) C4'-P energy: -82.485 bonds (distance) P-C4' energy: -118.079 flat angles C4'-P-C4' energy: -111.743 flat angles P-C4'-P energy: -55.011 tors. eta vs tors. theta energy: -72.128 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: 6 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -967.858212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.858212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.858212 (E_RNA) where: Base-Base interactions energy: -572.926 where: short stacking energy: -263.819 Base-Backbone interact. energy: 6.772 local terms energy: -401.704297 where: bonds (distance) C4'-P energy: -83.238 bonds (distance) P-C4' energy: -120.691 flat angles C4'-P-C4' energy: -121.060 flat angles P-C4'-P energy: -66.928 tors. eta vs tors. theta energy: -9.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2699.865228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.865228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.865228 (E_RNA) where: Base-Base interactions energy: -1936.631 where: short stacking energy: -761.711 Base-Backbone interact. energy: -2.959 local terms energy: -760.274638 where: bonds (distance) C4'-P energy: -134.584 bonds (distance) P-C4' energy: -135.662 flat angles C4'-P-C4' energy: -158.243 flat angles P-C4'-P energy: -104.972 tors. eta vs tors. theta energy: -226.814 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: 1 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2572.689653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.689653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.689653 (E_RNA) where: Base-Base interactions energy: -1822.182 where: short stacking energy: -758.587 Base-Backbone interact. energy: 4.017 local terms energy: -754.524827 where: bonds (distance) C4'-P energy: -131.834 bonds (distance) P-C4' energy: -137.206 flat angles C4'-P-C4' energy: -153.339 flat angles P-C4'-P energy: -99.508 tors. eta vs tors. theta energy: -232.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2506.907959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.907959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.907959 (E_RNA) where: Base-Base interactions energy: -1771.074 where: short stacking energy: -725.424 Base-Backbone interact. energy: -0.372 local terms energy: -735.462008 where: bonds (distance) C4'-P energy: -119.075 bonds (distance) P-C4' energy: -122.068 flat angles C4'-P-C4' energy: -150.043 flat angles P-C4'-P energy: -111.745 tors. eta vs tors. theta energy: -232.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2442.538256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.538256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.538256 (E_RNA) where: Base-Base interactions energy: -1754.813 where: short stacking energy: -720.871 Base-Backbone interact. energy: 2.247 local terms energy: -689.972128 where: bonds (distance) C4'-P energy: -100.486 bonds (distance) P-C4' energy: -131.141 flat angles C4'-P-C4' energy: -150.330 flat angles P-C4'-P energy: -93.347 tors. eta vs tors. theta energy: -214.668 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: 4 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2390.660098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.660098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.660098 (E_RNA) where: Base-Base interactions energy: -1713.286 where: short stacking energy: -699.448 Base-Backbone interact. energy: -3.077 local terms energy: -674.296825 where: bonds (distance) C4'-P energy: -114.519 bonds (distance) P-C4' energy: -119.119 flat angles C4'-P-C4' energy: -142.577 flat angles P-C4'-P energy: -101.417 tors. eta vs tors. theta energy: -196.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2320.982572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.982572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.982572 (E_RNA) where: Base-Base interactions energy: -1653.246 where: short stacking energy: -676.913 Base-Backbone interact. energy: -1.393 local terms energy: -666.343834 where: bonds (distance) C4'-P energy: -108.688 bonds (distance) P-C4' energy: -121.674 flat angles C4'-P-C4' energy: -138.388 flat angles P-C4'-P energy: -94.726 tors. eta vs tors. theta energy: -202.868 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: 7, replica: 3 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2283.011342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.011342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.011342 (E_RNA) where: Base-Base interactions energy: -1618.345 where: short stacking energy: -644.773 Base-Backbone interact. energy: 2.484 local terms energy: -667.150422 where: bonds (distance) C4'-P energy: -123.812 bonds (distance) P-C4' energy: -118.664 flat angles C4'-P-C4' energy: -131.336 flat angles P-C4'-P energy: -90.294 tors. eta vs tors. theta energy: -203.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1920.705565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.705565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.705565 (E_RNA) where: Base-Base interactions energy: -1340.339 where: short stacking energy: -571.833 Base-Backbone interact. energy: 0.143 local terms energy: -580.510123 where: bonds (distance) C4'-P energy: -114.994 bonds (distance) P-C4' energy: -91.544 flat angles C4'-P-C4' energy: -125.019 flat angles P-C4'-P energy: -87.494 tors. eta vs tors. theta energy: -161.460 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: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1284.618718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.618718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.618718 (E_RNA) where: Base-Base interactions energy: -825.448 where: short stacking energy: -337.631 Base-Backbone interact. energy: -1.561 local terms energy: -457.609892 where: bonds (distance) C4'-P energy: -100.477 bonds (distance) P-C4' energy: -114.788 flat angles C4'-P-C4' energy: -108.090 flat angles P-C4'-P energy: -79.481 tors. eta vs tors. theta energy: -54.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -876.484840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.484840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.484840 (E_RNA) where: Base-Base interactions energy: -482.375 where: short stacking energy: -265.941 Base-Backbone interact. energy: -3.739 local terms energy: -390.371295 where: bonds (distance) C4'-P energy: -115.212 bonds (distance) P-C4' energy: -121.627 flat angles C4'-P-C4' energy: -75.251 flat angles P-C4'-P energy: -56.051 tors. eta vs tors. theta energy: -22.230 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: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2671.481092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.481092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.481092 (E_RNA) where: Base-Base interactions energy: -1935.224 where: short stacking energy: -751.294 Base-Backbone interact. energy: -3.639 local terms energy: -732.617803 where: bonds (distance) C4'-P energy: -129.753 bonds (distance) P-C4' energy: -114.630 flat angles C4'-P-C4' energy: -163.949 flat angles P-C4'-P energy: -101.036 tors. eta vs tors. theta energy: -223.249 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: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2600.336906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.336906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.336906 (E_RNA) where: Base-Base interactions energy: -1853.324 where: short stacking energy: -767.129 Base-Backbone interact. energy: -4.090 local terms energy: -742.923084 where: bonds (distance) C4'-P energy: -123.047 bonds (distance) P-C4' energy: -132.771 flat angles C4'-P-C4' energy: -142.418 flat angles P-C4'-P energy: -116.055 tors. eta vs tors. theta energy: -228.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2504.875371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.875371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.875371 (E_RNA) where: Base-Base interactions energy: -1773.074 where: short stacking energy: -760.184 Base-Backbone interact. energy: -1.709 local terms energy: -730.092203 where: bonds (distance) C4'-P energy: -112.291 bonds (distance) P-C4' energy: -116.545 flat angles C4'-P-C4' energy: -155.019 flat angles P-C4'-P energy: -106.468 tors. eta vs tors. theta energy: -239.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2448.083558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.083558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.083558 (E_RNA) where: Base-Base interactions energy: -1717.894 where: short stacking energy: -719.168 Base-Backbone interact. energy: -1.272 local terms energy: -728.917978 where: bonds (distance) C4'-P energy: -125.692 bonds (distance) P-C4' energy: -123.567 flat angles C4'-P-C4' energy: -162.569 flat angles P-C4'-P energy: -99.253 tors. eta vs tors. theta energy: -217.837 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: 336 Temperature: 1.100000 Total energy: -2440.813324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.813324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.813324 (E_RNA) where: Base-Base interactions energy: -1742.733 where: short stacking energy: -716.989 Base-Backbone interact. energy: -4.924 local terms energy: -693.156365 where: bonds (distance) C4'-P energy: -117.175 bonds (distance) P-C4' energy: -109.884 flat angles C4'-P-C4' energy: -156.228 flat angles P-C4'-P energy: -87.507 tors. eta vs tors. theta energy: -222.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2300.729570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.729570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.729570 (E_RNA) where: Base-Base interactions energy: -1603.472 where: short stacking energy: -654.861 Base-Backbone interact. energy: 2.121 local terms energy: -699.378250 where: bonds (distance) C4'-P energy: -120.036 bonds (distance) P-C4' energy: -125.420 flat angles C4'-P-C4' energy: -144.480 flat angles P-C4'-P energy: -99.725 tors. eta vs tors. theta energy: -209.716 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: 7, replica: 3 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2269.348821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.348821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.348821 (E_RNA) where: Base-Base interactions energy: -1651.049 where: short stacking energy: -671.632 Base-Backbone interact. energy: -0.234 local terms energy: -618.066403 where: bonds (distance) C4'-P energy: -98.640 bonds (distance) P-C4' energy: -91.885 flat angles C4'-P-C4' energy: -135.323 flat angles P-C4'-P energy: -93.983 tors. eta vs tors. theta energy: -198.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1851.256805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.256805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.256805 (E_RNA) where: Base-Base interactions energy: -1281.860 where: short stacking energy: -523.874 Base-Backbone interact. energy: -1.047 local terms energy: -568.350191 where: bonds (distance) C4'-P energy: -99.862 bonds (distance) P-C4' energy: -108.198 flat angles C4'-P-C4' energy: -121.158 flat angles P-C4'-P energy: -82.300 tors. eta vs tors. theta energy: -156.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1308.564502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.564502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.564502 (E_RNA) where: Base-Base interactions energy: -848.975 where: short stacking energy: -349.798 Base-Backbone interact. energy: 2.636 local terms energy: -462.224802 where: bonds (distance) C4'-P energy: -108.632 bonds (distance) P-C4' energy: -113.472 flat angles C4'-P-C4' energy: -103.584 flat angles P-C4'-P energy: -70.479 tors. eta vs tors. theta energy: -66.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -881.231459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.231459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.231459 (E_RNA) where: Base-Base interactions energy: -496.048 where: short stacking energy: -244.364 Base-Backbone interact. energy: -0.483 local terms energy: -384.700489 where: bonds (distance) C4'-P energy: -113.231 bonds (distance) P-C4' energy: -111.353 flat angles C4'-P-C4' energy: -89.736 flat angles P-C4'-P energy: -65.303 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: 1, replica: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2700.658332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.658332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.658332 (E_RNA) where: Base-Base interactions energy: -1943.753 where: short stacking energy: -762.422 Base-Backbone interact. energy: -4.880 local terms energy: -752.026260 where: bonds (distance) C4'-P energy: -129.681 bonds (distance) P-C4' energy: -133.642 flat angles C4'-P-C4' energy: -152.161 flat angles P-C4'-P energy: -110.281 tors. eta vs tors. theta energy: -226.262 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: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2618.072249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.072249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.072249 (E_RNA) where: Base-Base interactions energy: -1844.076 where: short stacking energy: -780.268 Base-Backbone interact. energy: -2.721 local terms energy: -771.275470 where: bonds (distance) C4'-P energy: -133.890 bonds (distance) P-C4' energy: -142.088 flat angles C4'-P-C4' energy: -148.104 flat angles P-C4'-P energy: -113.941 tors. eta vs tors. theta energy: -233.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2533.170624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.170624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.170624 (E_RNA) where: Base-Base interactions energy: -1781.526 where: short stacking energy: -748.757 Base-Backbone interact. energy: -2.914 local terms energy: -748.730631 where: bonds (distance) C4'-P energy: -128.854 bonds (distance) P-C4' energy: -138.809 flat angles C4'-P-C4' energy: -150.578 flat angles P-C4'-P energy: -105.469 tors. eta vs tors. theta energy: -225.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2465.855639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.855639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.855639 (E_RNA) where: Base-Base interactions energy: -1761.198 where: short stacking energy: -731.403 Base-Backbone interact. energy: -2.597 local terms energy: -702.061178 where: bonds (distance) C4'-P energy: -108.217 bonds (distance) P-C4' energy: -133.908 flat angles C4'-P-C4' energy: -155.829 flat angles P-C4'-P energy: -85.960 tors. eta vs tors. theta energy: -218.147 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: 337 Temperature: 1.100000 Total energy: -2441.903899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.903899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.903899 (E_RNA) where: Base-Base interactions energy: -1757.753 where: short stacking energy: -711.347 Base-Backbone interact. energy: -0.574 local terms energy: -683.577213 where: bonds (distance) C4'-P energy: -107.418 bonds (distance) P-C4' energy: -111.395 flat angles C4'-P-C4' energy: -144.703 flat angles P-C4'-P energy: -101.693 tors. eta vs tors. theta energy: -218.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2330.851637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.851637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.851637 (E_RNA) where: Base-Base interactions energy: -1678.269 where: short stacking energy: -691.935 Base-Backbone interact. energy: -2.368 local terms energy: -650.214318 where: bonds (distance) C4'-P energy: -96.988 bonds (distance) P-C4' energy: -118.318 flat angles C4'-P-C4' energy: -136.980 flat angles P-C4'-P energy: -100.309 tors. eta vs tors. theta energy: -197.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2222.719056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.719056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.719056 (E_RNA) where: Base-Base interactions energy: -1599.271 where: short stacking energy: -644.508 Base-Backbone interact. energy: -0.141 local terms energy: -623.307322 where: bonds (distance) C4'-P energy: -95.530 bonds (distance) P-C4' energy: -108.734 flat angles C4'-P-C4' energy: -135.616 flat angles P-C4'-P energy: -91.957 tors. eta vs tors. theta energy: -191.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1909.906081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.906081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.906081 (E_RNA) where: Base-Base interactions energy: -1313.023 where: short stacking energy: -568.104 Base-Backbone interact. energy: 0.924 local terms energy: -597.806841 where: bonds (distance) C4'-P energy: -107.065 bonds (distance) P-C4' energy: -113.813 flat angles C4'-P-C4' energy: -138.836 flat angles P-C4'-P energy: -81.831 tors. eta vs tors. theta energy: -156.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1047.147807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.147807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.147807 (E_RNA) where: Base-Base interactions energy: -636.456 where: short stacking energy: -279.333 Base-Backbone interact. energy: -0.196 local terms energy: -410.495995 where: bonds (distance) C4'-P energy: -120.540 bonds (distance) P-C4' energy: -100.238 flat angles C4'-P-C4' energy: -99.327 flat angles P-C4'-P energy: -70.827 tors. eta vs tors. theta energy: -19.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -877.623817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.623817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.623817 (E_RNA) where: Base-Base interactions energy: -470.102 where: short stacking energy: -236.230 Base-Backbone interact. energy: 1.933 local terms energy: -409.454363 where: bonds (distance) C4'-P energy: -112.734 bonds (distance) P-C4' energy: -121.540 flat angles C4'-P-C4' energy: -101.990 flat angles P-C4'-P energy: -69.748 tors. eta vs tors. theta energy: -3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2715.017849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.017849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.017849 (E_RNA) where: Base-Base interactions energy: -1957.158 where: short stacking energy: -769.916 Base-Backbone interact. energy: -4.251 local terms energy: -753.608773 where: bonds (distance) C4'-P energy: -122.918 bonds (distance) P-C4' energy: -129.290 flat angles C4'-P-C4' energy: -159.330 flat angles P-C4'-P energy: -110.893 tors. eta vs tors. theta energy: -231.177 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: 338 Temperature: 0.950000 Total energy: -2613.736987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.736987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.736987 (E_RNA) where: Base-Base interactions energy: -1860.156 where: short stacking energy: -759.111 Base-Backbone interact. energy: -0.160 local terms energy: -753.421521 where: bonds (distance) C4'-P energy: -130.193 bonds (distance) P-C4' energy: -119.401 flat angles C4'-P-C4' energy: -162.120 flat angles P-C4'-P energy: -104.568 tors. eta vs tors. theta energy: -237.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2536.257534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.257534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.257534 (E_RNA) where: Base-Base interactions energy: -1807.733 where: short stacking energy: -736.430 Base-Backbone interact. energy: -3.195 local terms energy: -725.328765 where: bonds (distance) C4'-P energy: -121.503 bonds (distance) P-C4' energy: -129.056 flat angles C4'-P-C4' energy: -145.239 flat angles P-C4'-P energy: -109.688 tors. eta vs tors. theta energy: -219.843 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: 2 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2409.337196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.337196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.337196 (E_RNA) where: Base-Base interactions energy: -1736.774 where: short stacking energy: -678.214 Base-Backbone interact. energy: -1.938 local terms energy: -670.624587 where: bonds (distance) C4'-P energy: -116.830 bonds (distance) P-C4' energy: -121.220 flat angles C4'-P-C4' energy: -139.288 flat angles P-C4'-P energy: -88.544 tors. eta vs tors. theta energy: -204.742 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: 338 Temperature: 1.100000 Total energy: -2461.107905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.107905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.107905 (E_RNA) where: Base-Base interactions energy: -1762.664 where: short stacking energy: -711.370 Base-Backbone interact. energy: 1.148 local terms energy: -699.591724 where: bonds (distance) C4'-P energy: -104.192 bonds (distance) P-C4' energy: -124.979 flat angles C4'-P-C4' energy: -148.004 flat angles P-C4'-P energy: -101.720 tors. eta vs tors. theta energy: -220.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2345.603990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.603990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.603990 (E_RNA) where: Base-Base interactions energy: -1656.034 where: short stacking energy: -665.404 Base-Backbone interact. energy: -2.025 local terms energy: -687.544328 where: bonds (distance) C4'-P energy: -124.419 bonds (distance) P-C4' energy: -130.420 flat angles C4'-P-C4' energy: -141.960 flat angles P-C4'-P energy: -96.679 tors. eta vs tors. theta energy: -194.066 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: 4 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2219.561607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.561607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.561607 (E_RNA) where: Base-Base interactions energy: -1571.448 where: short stacking energy: -626.228 Base-Backbone interact. energy: -1.061 local terms energy: -647.052128 where: bonds (distance) C4'-P energy: -99.183 bonds (distance) P-C4' energy: -114.188 flat angles C4'-P-C4' energy: -136.595 flat angles P-C4'-P energy: -101.452 tors. eta vs tors. theta energy: -195.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1814.576251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.576251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.576251 (E_RNA) where: Base-Base interactions energy: -1300.853 where: short stacking energy: -546.211 Base-Backbone interact. energy: 1.361 local terms energy: -515.084118 where: bonds (distance) C4'-P energy: -71.866 bonds (distance) P-C4' energy: -116.281 flat angles C4'-P-C4' energy: -119.567 flat angles P-C4'-P energy: -64.265 tors. eta vs tors. theta energy: -143.105 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: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1038.162380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.162380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.162380 (E_RNA) where: Base-Base interactions energy: -613.395 where: short stacking energy: -286.775 Base-Backbone interact. energy: -2.238 local terms energy: -422.529203 where: bonds (distance) C4'-P energy: -94.745 bonds (distance) P-C4' energy: -118.848 flat angles C4'-P-C4' energy: -104.069 flat angles P-C4'-P energy: -69.114 tors. eta vs tors. theta energy: -35.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -871.130835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.130835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.130835 (E_RNA) where: Base-Base interactions energy: -517.008 where: short stacking energy: -241.796 Base-Backbone interact. energy: -0.473 local terms energy: -353.649806 where: bonds (distance) C4'-P energy: -82.936 bonds (distance) P-C4' energy: -119.760 flat angles C4'-P-C4' energy: -96.876 flat angles P-C4'-P energy: -56.288 tors. eta vs tors. theta energy: 2.210 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: 1, replica: 8 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2719.768229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.768229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.768229 (E_RNA) where: Base-Base interactions energy: -1942.777 where: short stacking energy: -760.418 Base-Backbone interact. energy: -3.634 local terms energy: -773.357690 where: bonds (distance) C4'-P energy: -136.824 bonds (distance) P-C4' energy: -130.702 flat angles C4'-P-C4' energy: -164.086 flat angles P-C4'-P energy: -105.929 tors. eta vs tors. theta energy: -235.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2581.179008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.179008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.179008 (E_RNA) where: Base-Base interactions energy: -1832.514 where: short stacking energy: -752.571 Base-Backbone interact. energy: -0.609 local terms energy: -748.056001 where: bonds (distance) C4'-P energy: -131.719 bonds (distance) P-C4' energy: -137.937 flat angles C4'-P-C4' energy: -156.468 flat angles P-C4'-P energy: -94.596 tors. eta vs tors. theta energy: -227.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2542.565559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.565559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.565559 (E_RNA) where: Base-Base interactions energy: -1816.313 where: short stacking energy: -770.381 Base-Backbone interact. energy: 4.837 local terms energy: -731.089576 where: bonds (distance) C4'-P energy: -123.650 bonds (distance) P-C4' energy: -143.368 flat angles C4'-P-C4' energy: -143.185 flat angles P-C4'-P energy: -86.476 tors. eta vs tors. theta energy: -234.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2496.781073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.781073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.781073 (E_RNA) where: Base-Base interactions energy: -1773.029 where: short stacking energy: -701.684 Base-Backbone interact. energy: -1.086 local terms energy: -722.665951 where: bonds (distance) C4'-P energy: -122.013 bonds (distance) P-C4' energy: -119.963 flat angles C4'-P-C4' energy: -154.298 flat angles P-C4'-P energy: -109.481 tors. eta vs tors. theta energy: -216.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2404.367742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.367742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.367742 (E_RNA) where: Base-Base interactions energy: -1727.071 where: short stacking energy: -690.558 Base-Backbone interact. energy: -1.066 local terms energy: -676.230027 where: bonds (distance) C4'-P energy: -116.709 bonds (distance) P-C4' energy: -107.402 flat angles C4'-P-C4' energy: -140.615 flat angles P-C4'-P energy: -112.502 tors. eta vs tors. theta energy: -199.002 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: 3 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2387.795876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.795876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.795876 (E_RNA) where: Base-Base interactions energy: -1711.979 where: short stacking energy: -694.379 Base-Backbone interact. energy: -1.609 local terms energy: -674.208399 where: bonds (distance) C4'-P energy: -101.330 bonds (distance) P-C4' energy: -116.479 flat angles C4'-P-C4' energy: -144.622 flat angles P-C4'-P energy: -91.616 tors. eta vs tors. theta energy: -220.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2223.006518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.006518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.006518 (E_RNA) where: Base-Base interactions energy: -1595.833 where: short stacking energy: -655.627 Base-Backbone interact. energy: 2.714 local terms energy: -629.888251 where: bonds (distance) C4'-P energy: -95.112 bonds (distance) P-C4' energy: -111.246 flat angles C4'-P-C4' energy: -137.329 flat angles P-C4'-P energy: -90.408 tors. eta vs tors. theta energy: -195.793 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: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1777.219326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.219326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.219326 (E_RNA) where: Base-Base interactions energy: -1206.934 where: short stacking energy: -515.362 Base-Backbone interact. energy: -2.989 local terms energy: -567.296481 where: bonds (distance) C4'-P energy: -101.020 bonds (distance) P-C4' energy: -131.367 flat angles C4'-P-C4' energy: -118.963 flat angles P-C4'-P energy: -77.178 tors. eta vs tors. theta energy: -138.769 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: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1065.571303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.571303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.571303 (E_RNA) where: Base-Base interactions energy: -646.207 where: short stacking energy: -318.537 Base-Backbone interact. energy: -1.855 local terms energy: -417.508848 where: bonds (distance) C4'-P energy: -109.771 bonds (distance) P-C4' energy: -109.639 flat angles C4'-P-C4' energy: -107.370 flat angles P-C4'-P energy: -56.170 tors. eta vs tors. theta energy: -34.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -863.367485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.367485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.367485 (E_RNA) where: Base-Base interactions energy: -498.224 where: short stacking energy: -247.758 Base-Backbone interact. energy: -0.543 local terms energy: -364.600432 where: bonds (distance) C4'-P energy: -101.808 bonds (distance) P-C4' energy: -114.248 flat angles C4'-P-C4' energy: -95.774 flat angles P-C4'-P energy: -39.295 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: 1, replica: 8 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2714.964175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.964175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.964175 (E_RNA) where: Base-Base interactions energy: -1970.854 where: short stacking energy: -765.527 Base-Backbone interact. energy: -0.124 local terms energy: -743.985865 where: bonds (distance) C4'-P energy: -122.160 bonds (distance) P-C4' energy: -131.244 flat angles C4'-P-C4' energy: -166.218 flat angles P-C4'-P energy: -95.505 tors. eta vs tors. theta energy: -228.858 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: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2600.109674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.109674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.109674 (E_RNA) where: Base-Base interactions energy: -1830.327 where: short stacking energy: -768.664 Base-Backbone interact. energy: -2.570 local terms energy: -767.212693 where: bonds (distance) C4'-P energy: -136.520 bonds (distance) P-C4' energy: -135.774 flat angles C4'-P-C4' energy: -154.232 flat angles P-C4'-P energy: -104.642 tors. eta vs tors. theta energy: -236.045 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: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2537.144976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.144976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.144976 (E_RNA) where: Base-Base interactions energy: -1818.737 where: short stacking energy: -741.897 Base-Backbone interact. energy: -1.420 local terms energy: -716.987339 where: bonds (distance) C4'-P energy: -134.331 bonds (distance) P-C4' energy: -116.604 flat angles C4'-P-C4' energy: -145.766 flat angles P-C4'-P energy: -96.298 tors. eta vs tors. theta energy: -223.988 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: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2484.456903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.456903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.456903 (E_RNA) where: Base-Base interactions energy: -1744.186 where: short stacking energy: -717.057 Base-Backbone interact. energy: -0.754 local terms energy: -739.516371 where: bonds (distance) C4'-P energy: -142.760 bonds (distance) P-C4' energy: -127.836 flat angles C4'-P-C4' energy: -150.627 flat angles P-C4'-P energy: -82.614 tors. eta vs tors. theta energy: -235.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2439.294803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.294803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.294803 (E_RNA) where: Base-Base interactions energy: -1724.454 where: short stacking energy: -707.020 Base-Backbone interact. energy: -1.737 local terms energy: -713.103725 where: bonds (distance) C4'-P energy: -124.792 bonds (distance) P-C4' energy: -114.564 flat angles C4'-P-C4' energy: -151.580 flat angles P-C4'-P energy: -107.542 tors. eta vs tors. theta energy: -214.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2342.723528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.723528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.723528 (E_RNA) where: Base-Base interactions energy: -1683.035 where: short stacking energy: -645.617 Base-Backbone interact. energy: -0.703 local terms energy: -658.985552 where: bonds (distance) C4'-P energy: -111.471 bonds (distance) P-C4' energy: -118.914 flat angles C4'-P-C4' energy: -137.528 flat angles P-C4'-P energy: -86.905 tors. eta vs tors. theta energy: -204.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2183.552843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.552843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.552843 (E_RNA) where: Base-Base interactions energy: -1544.029 where: short stacking energy: -639.801 Base-Backbone interact. energy: -0.229 local terms energy: -639.294919 where: bonds (distance) C4'-P energy: -104.739 bonds (distance) P-C4' energy: -106.416 flat angles C4'-P-C4' energy: -154.274 flat angles P-C4'-P energy: -80.593 tors. eta vs tors. theta energy: -193.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1881.537986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.537986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.537986 (E_RNA) where: Base-Base interactions energy: -1302.808 where: short stacking energy: -551.260 Base-Backbone interact. energy: -0.231 local terms energy: -578.499579 where: bonds (distance) C4'-P energy: -107.051 bonds (distance) P-C4' energy: -99.187 flat angles C4'-P-C4' energy: -126.911 flat angles P-C4'-P energy: -91.334 tors. eta vs tors. theta energy: -154.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -979.299951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.299951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.299951 (E_RNA) where: Base-Base interactions energy: -579.452 where: short stacking energy: -296.088 Base-Backbone interact. energy: 5.226 local terms energy: -405.073879 where: bonds (distance) C4'-P energy: -98.459 bonds (distance) P-C4' energy: -97.675 flat angles C4'-P-C4' energy: -111.169 flat angles P-C4'-P energy: -52.688 tors. eta vs tors. theta energy: -45.083 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: 6 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -861.135111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.135111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.135111 (E_RNA) where: Base-Base interactions energy: -482.465 where: short stacking energy: -209.458 Base-Backbone interact. energy: 4.212 local terms energy: -382.881784 where: bonds (distance) C4'-P energy: -122.169 bonds (distance) P-C4' energy: -103.959 flat angles C4'-P-C4' energy: -93.838 flat angles P-C4'-P energy: -55.023 tors. eta vs tors. theta energy: -7.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2702.690008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.690008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.690008 (E_RNA) where: Base-Base interactions energy: -1931.155 where: short stacking energy: -760.816 Base-Backbone interact. energy: -1.458 local terms energy: -770.076825 where: bonds (distance) C4'-P energy: -135.485 bonds (distance) P-C4' energy: -140.348 flat angles C4'-P-C4' energy: -161.617 flat angles P-C4'-P energy: -103.425 tors. eta vs tors. theta energy: -229.201 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: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2564.074044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.074044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.074044 (E_RNA) where: Base-Base interactions energy: -1804.848 where: short stacking energy: -737.848 Base-Backbone interact. energy: -0.232 local terms energy: -758.994562 where: bonds (distance) C4'-P energy: -133.319 bonds (distance) P-C4' energy: -135.621 flat angles C4'-P-C4' energy: -152.062 flat angles P-C4'-P energy: -98.495 tors. eta vs tors. theta energy: -239.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2564.259706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.259706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.259706 (E_RNA) where: Base-Base interactions energy: -1792.768 where: short stacking energy: -747.053 Base-Backbone interact. energy: -1.129 local terms energy: -770.362649 where: bonds (distance) C4'-P energy: -141.580 bonds (distance) P-C4' energy: -118.495 flat angles C4'-P-C4' energy: -158.973 flat angles P-C4'-P energy: -120.395 tors. eta vs tors. theta energy: -230.919 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: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2489.581549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.581549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.581549 (E_RNA) where: Base-Base interactions energy: -1764.504 where: short stacking energy: -738.302 Base-Backbone interact. energy: -0.456 local terms energy: -724.620888 where: bonds (distance) C4'-P energy: -111.757 bonds (distance) P-C4' energy: -134.723 flat angles C4'-P-C4' energy: -162.780 flat angles P-C4'-P energy: -90.661 tors. eta vs tors. theta energy: -224.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2386.407966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.407966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.407966 (E_RNA) where: Base-Base interactions energy: -1689.200 where: short stacking energy: -673.535 Base-Backbone interact. energy: -0.657 local terms energy: -696.551265 where: bonds (distance) C4'-P energy: -129.514 bonds (distance) P-C4' energy: -125.082 flat angles C4'-P-C4' energy: -142.421 flat angles P-C4'-P energy: -89.135 tors. eta vs tors. theta energy: -210.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2348.080207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.080207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.080207 (E_RNA) where: Base-Base interactions energy: -1657.547 where: short stacking energy: -673.260 Base-Backbone interact. energy: -2.216 local terms energy: -688.317752 where: bonds (distance) C4'-P energy: -113.392 bonds (distance) P-C4' energy: -119.843 flat angles C4'-P-C4' energy: -156.913 flat angles P-C4'-P energy: -94.874 tors. eta vs tors. theta energy: -203.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2189.017832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.017832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.017832 (E_RNA) where: Base-Base interactions energy: -1554.871 where: short stacking energy: -610.062 Base-Backbone interact. energy: 1.506 local terms energy: -635.653193 where: bonds (distance) C4'-P energy: -105.860 bonds (distance) P-C4' energy: -113.002 flat angles C4'-P-C4' energy: -141.662 flat angles P-C4'-P energy: -86.773 tors. eta vs tors. theta energy: -188.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1875.400491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.400491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.400491 (E_RNA) where: Base-Base interactions energy: -1315.100 where: short stacking energy: -533.234 Base-Backbone interact. energy: -2.233 local terms energy: -558.067331 where: bonds (distance) C4'-P energy: -108.476 bonds (distance) P-C4' energy: -113.436 flat angles C4'-P-C4' energy: -120.045 flat angles P-C4'-P energy: -77.049 tors. eta vs tors. theta energy: -139.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -979.769551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.769551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.769551 (E_RNA) where: Base-Base interactions energy: -574.700 where: short stacking energy: -288.219 Base-Backbone interact. energy: 1.266 local terms energy: -406.335512 where: bonds (distance) C4'-P energy: -93.535 bonds (distance) P-C4' energy: -107.940 flat angles C4'-P-C4' energy: -106.849 flat angles P-C4'-P energy: -63.618 tors. eta vs tors. theta energy: -34.393 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: 6 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -861.571260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.571260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.571260 (E_RNA) where: Base-Base interactions energy: -458.513 where: short stacking energy: -255.118 Base-Backbone interact. energy: 4.712 local terms energy: -407.770294 where: bonds (distance) C4'-P energy: -111.658 bonds (distance) P-C4' energy: -120.078 flat angles C4'-P-C4' energy: -97.174 flat angles P-C4'-P energy: -54.082 tors. eta vs tors. theta energy: -24.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2714.045414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.045414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.045414 (E_RNA) where: Base-Base interactions energy: -1948.363 where: short stacking energy: -751.580 Base-Backbone interact. energy: -4.018 local terms energy: -761.664559 where: bonds (distance) C4'-P energy: -131.375 bonds (distance) P-C4' energy: -135.723 flat angles C4'-P-C4' energy: -152.904 flat angles P-C4'-P energy: -113.371 tors. eta vs tors. theta energy: -228.292 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: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2558.751385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.751385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.751385 (E_RNA) where: Base-Base interactions energy: -1788.859 where: short stacking energy: -740.018 Base-Backbone interact. energy: -1.354 local terms energy: -768.537845 where: bonds (distance) C4'-P energy: -128.945 bonds (distance) P-C4' energy: -140.578 flat angles C4'-P-C4' energy: -157.791 flat angles P-C4'-P energy: -109.370 tors. eta vs tors. theta energy: -231.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2513.815790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.815790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.815790 (E_RNA) where: Base-Base interactions energy: -1788.720 where: short stacking energy: -705.661 Base-Backbone interact. energy: -1.229 local terms energy: -723.866545 where: bonds (distance) C4'-P energy: -107.710 bonds (distance) P-C4' energy: -136.899 flat angles C4'-P-C4' energy: -147.176 flat angles P-C4'-P energy: -105.117 tors. eta vs tors. theta energy: -226.964 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: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2458.013477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.013477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.013477 (E_RNA) where: Base-Base interactions energy: -1747.278 where: short stacking energy: -731.903 Base-Backbone interact. energy: -0.188 local terms energy: -710.547039 where: bonds (distance) C4'-P energy: -115.936 bonds (distance) P-C4' energy: -115.156 flat angles C4'-P-C4' energy: -148.974 flat angles P-C4'-P energy: -104.817 tors. eta vs tors. theta energy: -225.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2380.649783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.649783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.649783 (E_RNA) where: Base-Base interactions energy: -1710.337 where: short stacking energy: -703.232 Base-Backbone interact. energy: 0.953 local terms energy: -671.265711 where: bonds (distance) C4'-P energy: -135.576 bonds (distance) P-C4' energy: -108.343 flat angles C4'-P-C4' energy: -130.432 flat angles P-C4'-P energy: -87.171 tors. eta vs tors. theta energy: -209.744 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: 3 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2370.099851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.099851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.099851 (E_RNA) where: Base-Base interactions energy: -1692.051 where: short stacking energy: -682.440 Base-Backbone interact. energy: 0.528 local terms energy: -678.577171 where: bonds (distance) C4'-P energy: -115.663 bonds (distance) P-C4' energy: -121.657 flat angles C4'-P-C4' energy: -141.245 flat angles P-C4'-P energy: -84.317 tors. eta vs tors. theta energy: -215.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2182.097985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.097985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.097985 (E_RNA) where: Base-Base interactions energy: -1530.382 where: short stacking energy: -611.320 Base-Backbone interact. energy: 0.880 local terms energy: -652.595891 where: bonds (distance) C4'-P energy: -128.040 bonds (distance) P-C4' energy: -113.952 flat angles C4'-P-C4' energy: -141.616 flat angles P-C4'-P energy: -97.700 tors. eta vs tors. theta energy: -171.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1903.653520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.653520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.653520 (E_RNA) where: Base-Base interactions energy: -1300.295 where: short stacking energy: -538.971 Base-Backbone interact. energy: 0.648 local terms energy: -604.006952 where: bonds (distance) C4'-P energy: -121.308 bonds (distance) P-C4' energy: -112.317 flat angles C4'-P-C4' energy: -136.906 flat angles P-C4'-P energy: -82.904 tors. eta vs tors. theta energy: -150.572 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: 7 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -965.835372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.835372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.835372 (E_RNA) where: Base-Base interactions energy: -559.278 where: short stacking energy: -285.760 Base-Backbone interact. energy: -2.539 local terms energy: -404.018801 where: bonds (distance) C4'-P energy: -97.699 bonds (distance) P-C4' energy: -108.065 flat angles C4'-P-C4' energy: -111.995 flat angles P-C4'-P energy: -66.125 tors. eta vs tors. theta energy: -20.134 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: 10, replica: 6 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -862.029952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.029952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.029952 (E_RNA) where: Base-Base interactions energy: -484.645 where: short stacking energy: -235.787 Base-Backbone interact. energy: -1.597 local terms energy: -375.788278 where: bonds (distance) C4'-P energy: -105.347 bonds (distance) P-C4' energy: -108.178 flat angles C4'-P-C4' energy: -90.614 flat angles P-C4'-P energy: -69.440 tors. eta vs tors. theta energy: -2.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2709.704526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.704526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.704526 (E_RNA) where: Base-Base interactions energy: -1942.440 where: short stacking energy: -754.800 Base-Backbone interact. energy: -3.434 local terms energy: -763.830235 where: bonds (distance) C4'-P energy: -134.346 bonds (distance) P-C4' energy: -135.148 flat angles C4'-P-C4' energy: -160.395 flat angles P-C4'-P energy: -106.824 tors. eta vs tors. theta energy: -227.116 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: 343 Temperature: 0.950000 Total energy: -2567.326096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.326096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.326096 (E_RNA) where: Base-Base interactions energy: -1827.201 where: short stacking energy: -748.043 Base-Backbone interact. energy: -2.317 local terms energy: -737.808384 where: bonds (distance) C4'-P energy: -132.639 bonds (distance) P-C4' energy: -129.418 flat angles C4'-P-C4' energy: -152.398 flat angles P-C4'-P energy: -96.686 tors. eta vs tors. theta energy: -226.668 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: 343 Temperature: 1.000000 Total energy: -2514.219426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.219426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.219426 (E_RNA) where: Base-Base interactions energy: -1791.656 where: short stacking energy: -727.544 Base-Backbone interact. energy: -2.733 local terms energy: -719.830444 where: bonds (distance) C4'-P energy: -116.590 bonds (distance) P-C4' energy: -129.791 flat angles C4'-P-C4' energy: -155.272 flat angles P-C4'-P energy: -100.973 tors. eta vs tors. theta energy: -217.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2450.517193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.517193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.517193 (E_RNA) where: Base-Base interactions energy: -1739.600 where: short stacking energy: -723.367 Base-Backbone interact. energy: -1.832 local terms energy: -709.085278 where: bonds (distance) C4'-P energy: -127.771 bonds (distance) P-C4' energy: -112.766 flat angles C4'-P-C4' energy: -145.952 flat angles P-C4'-P energy: -106.012 tors. eta vs tors. theta energy: -216.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2444.728130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.728130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.728130 (E_RNA) where: Base-Base interactions energy: -1774.825 where: short stacking energy: -714.513 Base-Backbone interact. energy: -0.144 local terms energy: -669.759179 where: bonds (distance) C4'-P energy: -103.510 bonds (distance) P-C4' energy: -100.477 flat angles C4'-P-C4' energy: -145.865 flat angles P-C4'-P energy: -102.645 tors. eta vs tors. theta energy: -217.261 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: 3 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2361.734222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.734222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.734222 (E_RNA) where: Base-Base interactions energy: -1696.689 where: short stacking energy: -690.793 Base-Backbone interact. energy: -0.202 local terms energy: -664.842789 where: bonds (distance) C4'-P energy: -92.934 bonds (distance) P-C4' energy: -120.434 flat angles C4'-P-C4' energy: -138.382 flat angles P-C4'-P energy: -102.450 tors. eta vs tors. theta energy: -210.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2159.758522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.758522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.758522 (E_RNA) where: Base-Base interactions energy: -1539.675 where: short stacking energy: -628.262 Base-Backbone interact. energy: 6.572 local terms energy: -626.655204 where: bonds (distance) C4'-P energy: -101.162 bonds (distance) P-C4' energy: -114.747 flat angles C4'-P-C4' energy: -144.915 flat angles P-C4'-P energy: -83.906 tors. eta vs tors. theta energy: -181.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1942.981273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.981273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.981273 (E_RNA) where: Base-Base interactions energy: -1366.783 where: short stacking energy: -554.111 Base-Backbone interact. energy: -0.054 local terms energy: -576.144666 where: bonds (distance) C4'-P energy: -97.759 bonds (distance) P-C4' energy: -109.213 flat angles C4'-P-C4' energy: -124.886 flat angles P-C4'-P energy: -80.204 tors. eta vs tors. theta energy: -164.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -990.060816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.060816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.060816 (E_RNA) where: Base-Base interactions energy: -571.750 where: short stacking energy: -281.996 Base-Backbone interact. energy: 0.056 local terms energy: -418.367190 where: bonds (distance) C4'-P energy: -107.454 bonds (distance) P-C4' energy: -107.110 flat angles C4'-P-C4' energy: -100.295 flat angles P-C4'-P energy: -67.951 tors. eta vs tors. theta energy: -35.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -830.043738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.043738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.043738 (E_RNA) where: Base-Base interactions energy: -439.336 where: short stacking energy: -230.299 Base-Backbone interact. energy: 2.478 local terms energy: -393.185923 where: bonds (distance) C4'-P energy: -123.634 bonds (distance) P-C4' energy: -128.956 flat angles C4'-P-C4' energy: -71.426 flat angles P-C4'-P energy: -51.056 tors. eta vs tors. theta energy: -18.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2715.790936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.790936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.790936 (E_RNA) where: Base-Base interactions energy: -1943.741 where: short stacking energy: -775.786 Base-Backbone interact. energy: -1.564 local terms energy: -770.485591 where: bonds (distance) C4'-P energy: -122.415 bonds (distance) P-C4' energy: -145.231 flat angles C4'-P-C4' energy: -162.561 flat angles P-C4'-P energy: -105.753 tors. eta vs tors. theta energy: -234.525 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: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2577.497628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.497628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.497628 (E_RNA) where: Base-Base interactions energy: -1813.787 where: short stacking energy: -753.518 Base-Backbone interact. energy: -2.636 local terms energy: -761.074579 where: bonds (distance) C4'-P energy: -138.217 bonds (distance) P-C4' energy: -129.070 flat angles C4'-P-C4' energy: -155.124 flat angles P-C4'-P energy: -117.696 tors. eta vs tors. theta energy: -220.968 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: 344 Temperature: 1.000000 Total energy: -2549.463704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.463704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.463704 (E_RNA) where: Base-Base interactions energy: -1809.044 where: short stacking energy: -745.379 Base-Backbone interact. energy: -3.703 local terms energy: -736.716306 where: bonds (distance) C4'-P energy: -123.615 bonds (distance) P-C4' energy: -128.895 flat angles C4'-P-C4' energy: -155.248 flat angles P-C4'-P energy: -95.321 tors. eta vs tors. theta energy: -233.638 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: 10 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2493.467341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.467341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.467341 (E_RNA) where: Base-Base interactions energy: -1747.796 where: short stacking energy: -719.018 Base-Backbone interact. energy: -1.390 local terms energy: -744.281590 where: bonds (distance) C4'-P energy: -120.912 bonds (distance) P-C4' energy: -133.760 flat angles C4'-P-C4' energy: -157.161 flat angles P-C4'-P energy: -110.839 tors. eta vs tors. theta energy: -221.610 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: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2418.150240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.150240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.150240 (E_RNA) where: Base-Base interactions energy: -1733.410 where: short stacking energy: -705.928 Base-Backbone interact. energy: 1.294 local terms energy: -686.034917 where: bonds (distance) C4'-P energy: -121.896 bonds (distance) P-C4' energy: -134.938 flat angles C4'-P-C4' energy: -144.846 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: -208.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2290.640795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.640795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.640795 (E_RNA) where: Base-Base interactions energy: -1637.399 where: short stacking energy: -645.683 Base-Backbone interact. energy: -1.645 local terms energy: -651.596843 where: bonds (distance) C4'-P energy: -109.550 bonds (distance) P-C4' energy: -117.072 flat angles C4'-P-C4' energy: -140.719 flat angles P-C4'-P energy: -92.548 tors. eta vs tors. theta energy: -191.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2108.079031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.079031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.079031 (E_RNA) where: Base-Base interactions energy: -1499.399 where: short stacking energy: -620.416 Base-Backbone interact. energy: 1.015 local terms energy: -609.694591 where: bonds (distance) C4'-P energy: -107.836 bonds (distance) P-C4' energy: -95.490 flat angles C4'-P-C4' energy: -150.085 flat angles P-C4'-P energy: -83.894 tors. eta vs tors. theta energy: -172.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1904.085450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.085450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.085450 (E_RNA) where: Base-Base interactions energy: -1306.638 where: short stacking energy: -564.150 Base-Backbone interact. energy: 0.096 local terms energy: -597.544181 where: bonds (distance) C4'-P energy: -115.403 bonds (distance) P-C4' energy: -121.588 flat angles C4'-P-C4' energy: -130.727 flat angles P-C4'-P energy: -71.658 tors. eta vs tors. theta energy: -158.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1084.766868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.766868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.766868 (E_RNA) where: Base-Base interactions energy: -665.221 where: short stacking energy: -274.462 Base-Backbone interact. energy: 2.609 local terms energy: -422.154874 where: bonds (distance) C4'-P energy: -90.684 bonds (distance) P-C4' energy: -134.064 flat angles C4'-P-C4' energy: -113.661 flat angles P-C4'-P energy: -61.479 tors. eta vs tors. theta energy: -22.266 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: 6 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -861.369339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.369339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.369339 (E_RNA) where: Base-Base interactions energy: -472.120 where: short stacking energy: -241.998 Base-Backbone interact. energy: 4.941 local terms energy: -394.190612 where: bonds (distance) C4'-P energy: -114.349 bonds (distance) P-C4' energy: -109.191 flat angles C4'-P-C4' energy: -89.825 flat angles P-C4'-P energy: -54.240 tors. eta vs tors. theta energy: -26.586 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: 1, replica: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2726.189671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.189671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.189671 (E_RNA) where: Base-Base interactions energy: -1973.228 where: short stacking energy: -772.198 Base-Backbone interact. energy: 0.320 local terms energy: -753.282319 where: bonds (distance) C4'-P energy: -125.766 bonds (distance) P-C4' energy: -128.181 flat angles C4'-P-C4' energy: -164.293 flat angles P-C4'-P energy: -104.503 tors. eta vs tors. theta energy: -230.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2599.230295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.230295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.230295 (E_RNA) where: Base-Base interactions energy: -1829.003 where: short stacking energy: -754.383 Base-Backbone interact. energy: -5.165 local terms energy: -765.062475 where: bonds (distance) C4'-P energy: -137.133 bonds (distance) P-C4' energy: -132.896 flat angles C4'-P-C4' energy: -161.614 flat angles P-C4'-P energy: -104.449 tors. eta vs tors. theta energy: -228.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2533.058013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.058013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.058013 (E_RNA) where: Base-Base interactions energy: -1786.179 where: short stacking energy: -727.540 Base-Backbone interact. energy: -1.095 local terms energy: -745.784838 where: bonds (distance) C4'-P energy: -132.217 bonds (distance) P-C4' energy: -131.570 flat angles C4'-P-C4' energy: -156.029 flat angles P-C4'-P energy: -104.987 tors. eta vs tors. theta energy: -220.981 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: 4, replica: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2489.220120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.220120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.220120 (E_RNA) where: Base-Base interactions energy: -1765.293 where: short stacking energy: -719.729 Base-Backbone interact. energy: -1.255 local terms energy: -722.671987 where: bonds (distance) C4'-P energy: -127.124 bonds (distance) P-C4' energy: -126.127 flat angles C4'-P-C4' energy: -154.116 flat angles P-C4'-P energy: -91.610 tors. eta vs tors. theta energy: -223.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2381.219301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.219301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.219301 (E_RNA) where: Base-Base interactions energy: -1687.663 where: short stacking energy: -703.251 Base-Backbone interact. energy: -1.122 local terms energy: -692.434801 where: bonds (distance) C4'-P energy: -108.290 bonds (distance) P-C4' energy: -124.909 flat angles C4'-P-C4' energy: -147.217 flat angles P-C4'-P energy: -97.011 tors. eta vs tors. theta energy: -215.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2382.621388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.621388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.621388 (E_RNA) where: Base-Base interactions energy: -1705.135 where: short stacking energy: -688.282 Base-Backbone interact. energy: 0.507 local terms energy: -677.993429 where: bonds (distance) C4'-P energy: -113.418 bonds (distance) P-C4' energy: -119.324 flat angles C4'-P-C4' energy: -145.154 flat angles P-C4'-P energy: -91.947 tors. eta vs tors. theta energy: -208.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2135.368263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.368263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.368263 (E_RNA) where: Base-Base interactions energy: -1518.508 where: short stacking energy: -620.975 Base-Backbone interact. energy: -0.543 local terms energy: -616.316825 where: bonds (distance) C4'-P energy: -122.018 bonds (distance) P-C4' energy: -103.632 flat angles C4'-P-C4' energy: -133.553 flat angles P-C4'-P energy: -80.657 tors. eta vs tors. theta energy: -176.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1847.423238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.423238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.423238 (E_RNA) where: Base-Base interactions energy: -1301.690 where: short stacking energy: -555.244 Base-Backbone interact. energy: -2.034 local terms energy: -543.699481 where: bonds (distance) C4'-P energy: -98.324 bonds (distance) P-C4' energy: -102.521 flat angles C4'-P-C4' energy: -137.343 flat angles P-C4'-P energy: -63.289 tors. eta vs tors. theta energy: -142.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1129.160928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.160928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.160928 (E_RNA) where: Base-Base interactions energy: -696.021 where: short stacking energy: -305.539 Base-Backbone interact. energy: -2.009 local terms energy: -431.130897 where: bonds (distance) C4'-P energy: -128.123 bonds (distance) P-C4' energy: -106.201 flat angles C4'-P-C4' energy: -112.290 flat angles P-C4'-P energy: -51.818 tors. eta vs tors. theta energy: -32.699 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: 6 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -829.926839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.926839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.926839 (E_RNA) where: Base-Base interactions energy: -461.805 where: short stacking energy: -261.296 Base-Backbone interact. energy: -1.562 local terms energy: -366.559329 where: bonds (distance) C4'-P energy: -99.282 bonds (distance) P-C4' energy: -103.124 flat angles C4'-P-C4' energy: -99.825 flat angles P-C4'-P energy: -46.117 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: 1, replica: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2705.460920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.460920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.460920 (E_RNA) where: Base-Base interactions energy: -1952.678 where: short stacking energy: -770.189 Base-Backbone interact. energy: -1.039 local terms energy: -751.743401 where: bonds (distance) C4'-P energy: -129.215 bonds (distance) P-C4' energy: -134.066 flat angles C4'-P-C4' energy: -161.014 flat angles P-C4'-P energy: -106.124 tors. eta vs tors. theta energy: -221.324 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: 346 Temperature: 0.950000 Total energy: -2574.997435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.997435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.997435 (E_RNA) where: Base-Base interactions energy: -1822.118 where: short stacking energy: -757.577 Base-Backbone interact. energy: -1.953 local terms energy: -750.926242 where: bonds (distance) C4'-P energy: -127.662 bonds (distance) P-C4' energy: -129.299 flat angles C4'-P-C4' energy: -164.344 flat angles P-C4'-P energy: -108.966 tors. eta vs tors. theta energy: -220.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2571.342496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.342496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.342496 (E_RNA) where: Base-Base interactions energy: -1816.056 where: short stacking energy: -732.155 Base-Backbone interact. energy: -1.395 local terms energy: -753.892239 where: bonds (distance) C4'-P energy: -140.291 bonds (distance) P-C4' energy: -125.401 flat angles C4'-P-C4' energy: -151.847 flat angles P-C4'-P energy: -103.222 tors. eta vs tors. theta energy: -233.131 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: 346 Temperature: 1.050000 Total energy: -2468.659647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.659647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.659647 (E_RNA) where: Base-Base interactions energy: -1732.992 where: short stacking energy: -706.764 Base-Backbone interact. energy: -1.749 local terms energy: -733.918022 where: bonds (distance) C4'-P energy: -115.551 bonds (distance) P-C4' energy: -134.871 flat angles C4'-P-C4' energy: -154.742 flat angles P-C4'-P energy: -108.643 tors. eta vs tors. theta energy: -220.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2424.485895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.485895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.485895 (E_RNA) where: Base-Base interactions energy: -1705.694 where: short stacking energy: -690.721 Base-Backbone interact. energy: -1.851 local terms energy: -716.940700 where: bonds (distance) C4'-P energy: -108.655 bonds (distance) P-C4' energy: -122.105 flat angles C4'-P-C4' energy: -142.914 flat angles P-C4'-P energy: -118.161 tors. eta vs tors. theta energy: -225.106 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: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2357.978903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.978903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.978903 (E_RNA) where: Base-Base interactions energy: -1675.816 where: short stacking energy: -678.571 Base-Backbone interact. energy: -2.004 local terms energy: -680.159212 where: bonds (distance) C4'-P energy: -112.680 bonds (distance) P-C4' energy: -129.843 flat angles C4'-P-C4' energy: -141.574 flat angles P-C4'-P energy: -85.015 tors. eta vs tors. theta energy: -211.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2214.962454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.962454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.962454 (E_RNA) where: Base-Base interactions energy: -1576.529 where: short stacking energy: -644.762 Base-Backbone interact. energy: -2.329 local terms energy: -636.104196 where: bonds (distance) C4'-P energy: -111.323 bonds (distance) P-C4' energy: -105.908 flat angles C4'-P-C4' energy: -142.037 flat angles P-C4'-P energy: -94.489 tors. eta vs tors. theta energy: -182.347 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: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1849.787712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.787712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.787712 (E_RNA) where: Base-Base interactions energy: -1276.059 where: short stacking energy: -559.900 Base-Backbone interact. energy: 1.778 local terms energy: -575.507131 where: bonds (distance) C4'-P energy: -110.310 bonds (distance) P-C4' energy: -108.859 flat angles C4'-P-C4' energy: -132.349 flat angles P-C4'-P energy: -64.765 tors. eta vs tors. theta energy: -159.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1158.654708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.654708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.654708 (E_RNA) where: Base-Base interactions energy: -710.748 where: short stacking energy: -312.258 Base-Backbone interact. energy: -0.253 local terms energy: -447.653631 where: bonds (distance) C4'-P energy: -122.042 bonds (distance) P-C4' energy: -96.536 flat angles C4'-P-C4' energy: -118.148 flat angles P-C4'-P energy: -61.884 tors. eta vs tors. theta energy: -49.044 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: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -899.073044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.073044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.073044 (E_RNA) where: Base-Base interactions energy: -511.161 where: short stacking energy: -255.378 Base-Backbone interact. energy: 1.545 local terms energy: -389.457940 where: bonds (distance) C4'-P energy: -103.458 bonds (distance) P-C4' energy: -104.041 flat angles C4'-P-C4' energy: -106.703 flat angles P-C4'-P energy: -54.837 tors. eta vs tors. theta energy: -20.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2724.252883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.252883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.252883 (E_RNA) where: Base-Base interactions energy: -1952.070 where: short stacking energy: -777.457 Base-Backbone interact. energy: -2.309 local terms energy: -769.873804 where: bonds (distance) C4'-P energy: -133.125 bonds (distance) P-C4' energy: -144.452 flat angles C4'-P-C4' energy: -161.729 flat angles P-C4'-P energy: -106.317 tors. eta vs tors. theta energy: -224.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2596.447116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.447116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.447116 (E_RNA) where: Base-Base interactions energy: -1841.345 where: short stacking energy: -739.261 Base-Backbone interact. energy: 1.193 local terms energy: -756.295173 where: bonds (distance) C4'-P energy: -123.231 bonds (distance) P-C4' energy: -135.413 flat angles C4'-P-C4' energy: -150.983 flat angles P-C4'-P energy: -109.531 tors. eta vs tors. theta energy: -237.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2523.483887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.483887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.483887 (E_RNA) where: Base-Base interactions energy: -1803.702 where: short stacking energy: -739.274 Base-Backbone interact. energy: -0.347 local terms energy: -719.434967 where: bonds (distance) C4'-P energy: -124.025 bonds (distance) P-C4' energy: -125.524 flat angles C4'-P-C4' energy: -143.646 flat angles P-C4'-P energy: -108.074 tors. eta vs tors. theta energy: -218.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2475.489601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.489601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.489601 (E_RNA) where: Base-Base interactions energy: -1745.649 where: short stacking energy: -719.662 Base-Backbone interact. energy: -1.733 local terms energy: -728.107967 where: bonds (distance) C4'-P energy: -134.881 bonds (distance) P-C4' energy: -110.704 flat angles C4'-P-C4' energy: -150.808 flat angles P-C4'-P energy: -106.155 tors. eta vs tors. theta energy: -225.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2461.755443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.755443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.755443 (E_RNA) where: Base-Base interactions energy: -1763.876 where: short stacking energy: -708.280 Base-Backbone interact. energy: 3.375 local terms energy: -701.254097 where: bonds (distance) C4'-P energy: -126.191 bonds (distance) P-C4' energy: -108.243 flat angles C4'-P-C4' energy: -153.964 flat angles P-C4'-P energy: -101.226 tors. eta vs tors. theta energy: -211.629 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: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2347.373822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.373822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.373822 (E_RNA) where: Base-Base interactions energy: -1688.966 where: short stacking energy: -675.384 Base-Backbone interact. energy: -1.882 local terms energy: -656.525858 where: bonds (distance) C4'-P energy: -110.525 bonds (distance) P-C4' energy: -98.413 flat angles C4'-P-C4' energy: -127.598 flat angles P-C4'-P energy: -97.236 tors. eta vs tors. theta energy: -222.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2164.805728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.805728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.805728 (E_RNA) where: Base-Base interactions energy: -1533.193 where: short stacking energy: -618.952 Base-Backbone interact. energy: -1.786 local terms energy: -629.826384 where: bonds (distance) C4'-P energy: -119.761 bonds (distance) P-C4' energy: -89.168 flat angles C4'-P-C4' energy: -143.755 flat angles P-C4'-P energy: -83.640 tors. eta vs tors. theta energy: -193.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1876.458867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.458867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.458867 (E_RNA) where: Base-Base interactions energy: -1326.064 where: short stacking energy: -540.609 Base-Backbone interact. energy: 5.066 local terms energy: -555.460933 where: bonds (distance) C4'-P energy: -96.854 bonds (distance) P-C4' energy: -108.241 flat angles C4'-P-C4' energy: -132.009 flat angles P-C4'-P energy: -69.369 tors. eta vs tors. theta energy: -148.988 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: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1107.851878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.851878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.851878 (E_RNA) where: Base-Base interactions energy: -700.725 where: short stacking energy: -321.966 Base-Backbone interact. energy: 3.124 local terms energy: -410.251141 where: bonds (distance) C4'-P energy: -94.119 bonds (distance) P-C4' energy: -117.561 flat angles C4'-P-C4' energy: -114.546 flat angles P-C4'-P energy: -40.315 tors. eta vs tors. theta energy: -43.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -913.477410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.477410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.477410 (E_RNA) where: Base-Base interactions energy: -481.760 where: short stacking energy: -218.810 Base-Backbone interact. energy: 0.672 local terms energy: -432.390024 where: bonds (distance) C4'-P energy: -107.975 bonds (distance) P-C4' energy: -92.532 flat angles C4'-P-C4' energy: -122.592 flat angles P-C4'-P energy: -75.465 tors. eta vs tors. theta energy: -33.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2713.919052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.919052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.919052 (E_RNA) where: Base-Base interactions energy: -1945.904 where: short stacking energy: -759.622 Base-Backbone interact. energy: -1.228 local terms energy: -766.787083 where: bonds (distance) C4'-P energy: -148.145 bonds (distance) P-C4' energy: -132.645 flat angles C4'-P-C4' energy: -154.262 flat angles P-C4'-P energy: -109.259 tors. eta vs tors. theta energy: -222.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2594.627335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.627335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.627335 (E_RNA) where: Base-Base interactions energy: -1841.897 where: short stacking energy: -764.753 Base-Backbone interact. energy: -2.269 local terms energy: -750.461520 where: bonds (distance) C4'-P energy: -125.162 bonds (distance) P-C4' energy: -121.239 flat angles C4'-P-C4' energy: -162.209 flat angles P-C4'-P energy: -102.899 tors. eta vs tors. theta energy: -238.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2521.131507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.131507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.131507 (E_RNA) where: Base-Base interactions energy: -1776.242 where: short stacking energy: -731.720 Base-Backbone interact. energy: -3.181 local terms energy: -741.708188 where: bonds (distance) C4'-P energy: -125.722 bonds (distance) P-C4' energy: -127.800 flat angles C4'-P-C4' energy: -156.809 flat angles P-C4'-P energy: -101.060 tors. eta vs tors. theta energy: -230.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2469.409322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.409322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.409322 (E_RNA) where: Base-Base interactions energy: -1760.022 where: short stacking energy: -722.926 Base-Backbone interact. energy: 1.161 local terms energy: -710.548582 where: bonds (distance) C4'-P energy: -115.819 bonds (distance) P-C4' energy: -121.643 flat angles C4'-P-C4' energy: -152.122 flat angles P-C4'-P energy: -98.870 tors. eta vs tors. theta energy: -222.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2405.620743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.620743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.620743 (E_RNA) where: Base-Base interactions energy: -1726.400 where: short stacking energy: -694.591 Base-Backbone interact. energy: -2.111 local terms energy: -677.109517 where: bonds (distance) C4'-P energy: -116.599 bonds (distance) P-C4' energy: -124.858 flat angles C4'-P-C4' energy: -141.279 flat angles P-C4'-P energy: -83.614 tors. eta vs tors. theta energy: -210.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2376.534784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.534784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.534784 (E_RNA) where: Base-Base interactions energy: -1705.839 where: short stacking energy: -683.779 Base-Backbone interact. energy: 0.623 local terms energy: -671.318668 where: bonds (distance) C4'-P energy: -115.846 bonds (distance) P-C4' energy: -123.861 flat angles C4'-P-C4' energy: -130.139 flat angles P-C4'-P energy: -82.823 tors. eta vs tors. theta energy: -218.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2278.381887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.381887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.381887 (E_RNA) where: Base-Base interactions energy: -1626.708 where: short stacking energy: -656.742 Base-Backbone interact. energy: -2.161 local terms energy: -649.513012 where: bonds (distance) C4'-P energy: -93.850 bonds (distance) P-C4' energy: -118.139 flat angles C4'-P-C4' energy: -148.877 flat angles P-C4'-P energy: -90.861 tors. eta vs tors. theta energy: -197.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1905.285209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.285209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.285209 (E_RNA) where: Base-Base interactions energy: -1312.667 where: short stacking energy: -543.577 Base-Backbone interact. energy: -2.175 local terms energy: -590.443485 where: bonds (distance) C4'-P energy: -128.313 bonds (distance) P-C4' energy: -99.269 flat angles C4'-P-C4' energy: -133.980 flat angles P-C4'-P energy: -70.887 tors. eta vs tors. theta energy: -157.994 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: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1252.664686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.664686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.664686 (E_RNA) where: Base-Base interactions energy: -793.928 where: short stacking energy: -363.422 Base-Backbone interact. energy: -3.030 local terms energy: -455.707432 where: bonds (distance) C4'-P energy: -99.655 bonds (distance) P-C4' energy: -113.932 flat angles C4'-P-C4' energy: -111.596 flat angles P-C4'-P energy: -59.479 tors. eta vs tors. theta energy: -71.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -862.548955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.548955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.548955 (E_RNA) where: Base-Base interactions energy: -469.703 where: short stacking energy: -229.473 Base-Backbone interact. energy: 0.366 local terms energy: -393.211588 where: bonds (distance) C4'-P energy: -87.656 bonds (distance) P-C4' energy: -111.042 flat angles C4'-P-C4' energy: -115.020 flat angles P-C4'-P energy: -61.711 tors. eta vs tors. theta energy: -17.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2742.213721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.213721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.213721 (E_RNA) where: Base-Base interactions energy: -1968.853 where: short stacking energy: -769.326 Base-Backbone interact. energy: -1.151 local terms energy: -772.210056 where: bonds (distance) C4'-P energy: -146.952 bonds (distance) P-C4' energy: -122.483 flat angles C4'-P-C4' energy: -169.490 flat angles P-C4'-P energy: -105.024 tors. eta vs tors. theta energy: -228.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2604.741140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.741140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.741140 (E_RNA) where: Base-Base interactions energy: -1856.247 where: short stacking energy: -779.739 Base-Backbone interact. energy: -1.540 local terms energy: -746.954163 where: bonds (distance) C4'-P energy: -130.835 bonds (distance) P-C4' energy: -122.292 flat angles C4'-P-C4' energy: -154.823 flat angles P-C4'-P energy: -105.261 tors. eta vs tors. theta energy: -233.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2515.720697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.720697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.720697 (E_RNA) where: Base-Base interactions energy: -1779.277 where: short stacking energy: -740.555 Base-Backbone interact. energy: 3.452 local terms energy: -739.895573 where: bonds (distance) C4'-P energy: -137.841 bonds (distance) P-C4' energy: -127.162 flat angles C4'-P-C4' energy: -156.324 flat angles P-C4'-P energy: -98.697 tors. eta vs tors. theta energy: -219.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2466.616756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.616756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.616756 (E_RNA) where: Base-Base interactions energy: -1757.750 where: short stacking energy: -738.787 Base-Backbone interact. energy: -1.047 local terms energy: -707.819205 where: bonds (distance) C4'-P energy: -123.741 bonds (distance) P-C4' energy: -113.568 flat angles C4'-P-C4' energy: -149.067 flat angles P-C4'-P energy: -95.693 tors. eta vs tors. theta energy: -225.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2423.307655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.307655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.307655 (E_RNA) where: Base-Base interactions energy: -1714.788 where: short stacking energy: -679.460 Base-Backbone interact. energy: -1.457 local terms energy: -707.062354 where: bonds (distance) C4'-P energy: -117.893 bonds (distance) P-C4' energy: -126.199 flat angles C4'-P-C4' energy: -142.368 flat angles P-C4'-P energy: -107.056 tors. eta vs tors. theta energy: -213.547 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: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2360.876761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.876761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.876761 (E_RNA) where: Base-Base interactions energy: -1678.385 where: short stacking energy: -673.985 Base-Backbone interact. energy: -2.249 local terms energy: -680.242224 where: bonds (distance) C4'-P energy: -106.855 bonds (distance) P-C4' energy: -108.519 flat angles C4'-P-C4' energy: -147.550 flat angles P-C4'-P energy: -105.111 tors. eta vs tors. theta energy: -212.206 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: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2239.935279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.935279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.935279 (E_RNA) where: Base-Base interactions energy: -1608.540 where: short stacking energy: -664.702 Base-Backbone interact. energy: -2.995 local terms energy: -628.401058 where: bonds (distance) C4'-P energy: -121.762 bonds (distance) P-C4' energy: -107.382 flat angles C4'-P-C4' energy: -135.863 flat angles P-C4'-P energy: -71.704 tors. eta vs tors. theta energy: -191.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1963.833118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.833118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.833118 (E_RNA) where: Base-Base interactions energy: -1380.065 where: short stacking energy: -567.259 Base-Backbone interact. energy: 0.969 local terms energy: -584.737788 where: bonds (distance) C4'-P energy: -97.284 bonds (distance) P-C4' energy: -117.767 flat angles C4'-P-C4' energy: -132.310 flat angles P-C4'-P energy: -80.526 tors. eta vs tors. theta energy: -156.850 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: 9, replica: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1230.232494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.232494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.232494 (E_RNA) where: Base-Base interactions energy: -763.818 where: short stacking energy: -361.722 Base-Backbone interact. energy: -2.811 local terms energy: -463.603084 where: bonds (distance) C4'-P energy: -114.971 bonds (distance) P-C4' energy: -109.710 flat angles C4'-P-C4' energy: -108.977 flat angles P-C4'-P energy: -54.352 tors. eta vs tors. theta energy: -75.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -883.155928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.155928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.155928 (E_RNA) where: Base-Base interactions energy: -502.666 where: short stacking energy: -248.952 Base-Backbone interact. energy: -1.462 local terms energy: -379.028515 where: bonds (distance) C4'-P energy: -87.913 bonds (distance) P-C4' energy: -112.908 flat angles C4'-P-C4' energy: -91.308 flat angles P-C4'-P energy: -64.800 tors. eta vs tors. theta energy: -22.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2707.386195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.386195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.386195 (E_RNA) where: Base-Base interactions energy: -1931.531 where: short stacking energy: -748.013 Base-Backbone interact. energy: -3.408 local terms energy: -772.447578 where: bonds (distance) C4'-P energy: -136.562 bonds (distance) P-C4' energy: -129.069 flat angles C4'-P-C4' energy: -160.835 flat angles P-C4'-P energy: -117.379 tors. eta vs tors. theta energy: -228.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2613.642862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.642862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.642862 (E_RNA) where: Base-Base interactions energy: -1849.312 where: short stacking energy: -764.357 Base-Backbone interact. energy: -1.680 local terms energy: -762.650189 where: bonds (distance) C4'-P energy: -123.865 bonds (distance) P-C4' energy: -129.672 flat angles C4'-P-C4' energy: -156.728 flat angles P-C4'-P energy: -109.589 tors. eta vs tors. theta energy: -242.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2524.872911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.872911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.872911 (E_RNA) where: Base-Base interactions energy: -1804.653 where: short stacking energy: -733.504 Base-Backbone interact. energy: -2.192 local terms energy: -718.028461 where: bonds (distance) C4'-P energy: -120.391 bonds (distance) P-C4' energy: -117.070 flat angles C4'-P-C4' energy: -153.557 flat angles P-C4'-P energy: -103.964 tors. eta vs tors. theta energy: -223.046 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: 10 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2481.032726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.032726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.032726 (E_RNA) where: Base-Base interactions energy: -1750.072 where: short stacking energy: -723.804 Base-Backbone interact. energy: -2.330 local terms energy: -728.630488 where: bonds (distance) C4'-P energy: -127.474 bonds (distance) P-C4' energy: -129.474 flat angles C4'-P-C4' energy: -141.482 flat angles P-C4'-P energy: -103.038 tors. eta vs tors. theta energy: -227.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2426.921039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.921039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.921039 (E_RNA) where: Base-Base interactions energy: -1720.829 where: short stacking energy: -730.470 Base-Backbone interact. energy: -1.483 local terms energy: -704.609015 where: bonds (distance) C4'-P energy: -97.967 bonds (distance) P-C4' energy: -116.624 flat angles C4'-P-C4' energy: -162.814 flat angles P-C4'-P energy: -98.686 tors. eta vs tors. theta energy: -228.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2391.912184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.912184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.912184 (E_RNA) where: Base-Base interactions energy: -1706.940 where: short stacking energy: -689.406 Base-Backbone interact. energy: 1.578 local terms energy: -686.549363 where: bonds (distance) C4'-P energy: -120.826 bonds (distance) P-C4' energy: -117.864 flat angles C4'-P-C4' energy: -144.881 flat angles P-C4'-P energy: -98.049 tors. eta vs tors. theta energy: -204.929 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: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2255.372099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.372099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.372099 (E_RNA) where: Base-Base interactions energy: -1610.215 where: short stacking energy: -646.632 Base-Backbone interact. energy: -3.124 local terms energy: -642.032954 where: bonds (distance) C4'-P energy: -104.355 bonds (distance) P-C4' energy: -119.496 flat angles C4'-P-C4' energy: -146.215 flat angles P-C4'-P energy: -79.974 tors. eta vs tors. theta energy: -191.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1891.675065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.675065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.675065 (E_RNA) where: Base-Base interactions energy: -1299.241 where: short stacking energy: -524.074 Base-Backbone interact. energy: -3.295 local terms energy: -589.139045 where: bonds (distance) C4'-P energy: -105.163 bonds (distance) P-C4' energy: -125.195 flat angles C4'-P-C4' energy: -131.935 flat angles P-C4'-P energy: -84.116 tors. eta vs tors. theta energy: -142.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1173.964770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.964770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.964770 (E_RNA) where: Base-Base interactions energy: -740.813 where: short stacking energy: -318.298 Base-Backbone interact. energy: -4.212 local terms energy: -428.938924 where: bonds (distance) C4'-P energy: -107.307 bonds (distance) P-C4' energy: -103.197 flat angles C4'-P-C4' energy: -101.294 flat angles P-C4'-P energy: -60.978 tors. eta vs tors. theta energy: -56.163 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: 350 Temperature: 1.350000 Total energy: -941.247328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.247328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.247328 (E_RNA) where: Base-Base interactions energy: -575.482 where: short stacking energy: -277.795 Base-Backbone interact. energy: 4.619 local terms energy: -370.384721 where: bonds (distance) C4'-P energy: -106.738 bonds (distance) P-C4' energy: -101.994 flat angles C4'-P-C4' energy: -87.442 flat angles P-C4'-P energy: -55.641 tors. eta vs tors. theta energy: -18.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2705.984903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.984903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.984903 (E_RNA) where: Base-Base interactions energy: -1965.766 where: short stacking energy: -756.526 Base-Backbone interact. energy: -3.297 local terms energy: -736.922214 where: bonds (distance) C4'-P energy: -127.678 bonds (distance) P-C4' energy: -122.630 flat angles C4'-P-C4' energy: -159.584 flat angles P-C4'-P energy: -98.612 tors. eta vs tors. theta energy: -228.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2612.266085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.266085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.266085 (E_RNA) where: Base-Base interactions energy: -1842.463 where: short stacking energy: -762.265 Base-Backbone interact. energy: -2.375 local terms energy: -767.427900 where: bonds (distance) C4'-P energy: -136.329 bonds (distance) P-C4' energy: -133.236 flat angles C4'-P-C4' energy: -156.011 flat angles P-C4'-P energy: -113.892 tors. eta vs tors. theta energy: -227.959 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: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2552.043478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.043478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.043478 (E_RNA) where: Base-Base interactions energy: -1821.071 where: short stacking energy: -720.077 Base-Backbone interact. energy: -2.664 local terms energy: -728.307587 where: bonds (distance) C4'-P energy: -127.694 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -149.190 flat angles P-C4'-P energy: -92.826 tors. eta vs tors. theta energy: -227.085 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: 4, replica: 10 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2463.804466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.804466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.804466 (E_RNA) where: Base-Base interactions energy: -1727.284 where: short stacking energy: -736.435 Base-Backbone interact. energy: 1.082 local terms energy: -737.602326 where: bonds (distance) C4'-P energy: -122.338 bonds (distance) P-C4' energy: -123.000 flat angles C4'-P-C4' energy: -149.231 flat angles P-C4'-P energy: -110.745 tors. eta vs tors. theta energy: -232.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2406.568886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.568886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.568886 (E_RNA) where: Base-Base interactions energy: -1707.610 where: short stacking energy: -669.225 Base-Backbone interact. energy: -2.660 local terms energy: -696.298243 where: bonds (distance) C4'-P energy: -107.096 bonds (distance) P-C4' energy: -125.361 flat angles C4'-P-C4' energy: -145.029 flat angles P-C4'-P energy: -108.676 tors. eta vs tors. theta energy: -210.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2328.376086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.376086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.376086 (E_RNA) where: Base-Base interactions energy: -1692.431 where: short stacking energy: -692.581 Base-Backbone interact. energy: -2.737 local terms energy: -633.208627 where: bonds (distance) C4'-P energy: -110.914 bonds (distance) P-C4' energy: -103.295 flat angles C4'-P-C4' energy: -122.656 flat angles P-C4'-P energy: -87.286 tors. eta vs tors. theta energy: -209.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2286.277823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.277823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.277823 (E_RNA) where: Base-Base interactions energy: -1641.230 where: short stacking energy: -651.356 Base-Backbone interact. energy: -0.758 local terms energy: -644.289454 where: bonds (distance) C4'-P energy: -116.895 bonds (distance) P-C4' energy: -91.877 flat angles C4'-P-C4' energy: -151.075 flat angles P-C4'-P energy: -93.799 tors. eta vs tors. theta energy: -190.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1966.544744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.544744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.544744 (E_RNA) where: Base-Base interactions energy: -1387.167 where: short stacking energy: -560.633 Base-Backbone interact. energy: 0.590 local terms energy: -579.968045 where: bonds (distance) C4'-P energy: -106.037 bonds (distance) P-C4' energy: -115.440 flat angles C4'-P-C4' energy: -124.809 flat angles P-C4'-P energy: -75.018 tors. eta vs tors. theta energy: -158.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1140.154512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.154512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.154512 (E_RNA) where: Base-Base interactions energy: -719.760 where: short stacking energy: -340.261 Base-Backbone interact. energy: 0.042 local terms energy: -420.436740 where: bonds (distance) C4'-P energy: -97.593 bonds (distance) P-C4' energy: -112.519 flat angles C4'-P-C4' energy: -94.832 flat angles P-C4'-P energy: -64.392 tors. eta vs tors. theta energy: -51.101 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: 6 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -818.113795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.113795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.113795 (E_RNA) where: Base-Base interactions energy: -445.348 where: short stacking energy: -195.437 Base-Backbone interact. energy: 2.124 local terms energy: -374.889984 where: bonds (distance) C4'-P energy: -113.958 bonds (distance) P-C4' energy: -124.200 flat angles C4'-P-C4' energy: -91.304 flat angles P-C4'-P energy: -37.699 tors. eta vs tors. theta energy: -7.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2718.204636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.204636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.204636 (E_RNA) where: Base-Base interactions energy: -1960.404 where: short stacking energy: -778.322 Base-Backbone interact. energy: -1.140 local terms energy: -756.660190 where: bonds (distance) C4'-P energy: -121.490 bonds (distance) P-C4' energy: -126.721 flat angles C4'-P-C4' energy: -160.174 flat angles P-C4'-P energy: -116.685 tors. eta vs tors. theta energy: -231.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2599.861732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.861732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.861732 (E_RNA) where: Base-Base interactions energy: -1837.131 where: short stacking energy: -765.214 Base-Backbone interact. energy: -3.134 local terms energy: -759.596662 where: bonds (distance) C4'-P energy: -124.130 bonds (distance) P-C4' energy: -141.081 flat angles C4'-P-C4' energy: -152.025 flat angles P-C4'-P energy: -110.192 tors. eta vs tors. theta energy: -232.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2537.608922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.608922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.608922 (E_RNA) where: Base-Base interactions energy: -1824.672 where: short stacking energy: -738.881 Base-Backbone interact. energy: -0.920 local terms energy: -712.017033 where: bonds (distance) C4'-P energy: -109.571 bonds (distance) P-C4' energy: -126.289 flat angles C4'-P-C4' energy: -147.666 flat angles P-C4'-P energy: -111.281 tors. eta vs tors. theta energy: -217.210 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: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2476.823710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.823710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.823710 (E_RNA) where: Base-Base interactions energy: -1748.467 where: short stacking energy: -751.919 Base-Backbone interact. energy: -2.308 local terms energy: -726.048093 where: bonds (distance) C4'-P energy: -116.417 bonds (distance) P-C4' energy: -124.193 flat angles C4'-P-C4' energy: -156.442 flat angles P-C4'-P energy: -96.580 tors. eta vs tors. theta energy: -232.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2412.714693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.714693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.714693 (E_RNA) where: Base-Base interactions energy: -1741.219 where: short stacking energy: -723.967 Base-Backbone interact. energy: -2.088 local terms energy: -669.408252 where: bonds (distance) C4'-P energy: -119.266 bonds (distance) P-C4' energy: -96.891 flat angles C4'-P-C4' energy: -149.772 flat angles P-C4'-P energy: -74.775 tors. eta vs tors. theta energy: -228.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2316.892005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.892005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.892005 (E_RNA) where: Base-Base interactions energy: -1681.741 where: short stacking energy: -669.553 Base-Backbone interact. energy: -1.954 local terms energy: -633.196952 where: bonds (distance) C4'-P energy: -111.686 bonds (distance) P-C4' energy: -101.808 flat angles C4'-P-C4' energy: -128.690 flat angles P-C4'-P energy: -93.370 tors. eta vs tors. theta energy: -197.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2227.395669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.395669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.395669 (E_RNA) where: Base-Base interactions energy: -1571.083 where: short stacking energy: -630.304 Base-Backbone interact. energy: 0.860 local terms energy: -657.172441 where: bonds (distance) C4'-P energy: -135.388 bonds (distance) P-C4' energy: -128.251 flat angles C4'-P-C4' energy: -123.997 flat angles P-C4'-P energy: -80.654 tors. eta vs tors. theta energy: -188.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1978.657686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.657686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.657686 (E_RNA) where: Base-Base interactions energy: -1393.521 where: short stacking energy: -587.989 Base-Backbone interact. energy: -1.909 local terms energy: -583.227945 where: bonds (distance) C4'-P energy: -90.092 bonds (distance) P-C4' energy: -108.423 flat angles C4'-P-C4' energy: -134.168 flat angles P-C4'-P energy: -72.745 tors. eta vs tors. theta energy: -177.800 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: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1113.373515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.373515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.373515 (E_RNA) where: Base-Base interactions energy: -692.577 where: short stacking energy: -324.051 Base-Backbone interact. energy: 4.073 local terms energy: -424.869452 where: bonds (distance) C4'-P energy: -117.200 bonds (distance) P-C4' energy: -104.637 flat angles C4'-P-C4' energy: -97.516 flat angles P-C4'-P energy: -65.305 tors. eta vs tors. theta energy: -40.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -825.740221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.740221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.740221 (E_RNA) where: Base-Base interactions energy: -464.769 where: short stacking energy: -229.137 Base-Backbone interact. energy: 0.076 local terms energy: -361.047206 where: bonds (distance) C4'-P energy: -104.405 bonds (distance) P-C4' energy: -105.128 flat angles C4'-P-C4' energy: -99.425 flat angles P-C4'-P energy: -55.905 tors. eta vs tors. theta energy: 3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2686.545281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.545281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.545281 (E_RNA) where: Base-Base interactions energy: -1926.878 where: short stacking energy: -745.847 Base-Backbone interact. energy: 0.929 local terms energy: -760.595452 where: bonds (distance) C4'-P energy: -129.159 bonds (distance) P-C4' energy: -145.393 flat angles C4'-P-C4' energy: -157.428 flat angles P-C4'-P energy: -108.664 tors. eta vs tors. theta energy: -219.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2622.013861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.013861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.013861 (E_RNA) where: Base-Base interactions energy: -1857.493 where: short stacking energy: -755.397 Base-Backbone interact. energy: -1.432 local terms energy: -763.088588 where: bonds (distance) C4'-P energy: -144.462 bonds (distance) P-C4' energy: -129.582 flat angles C4'-P-C4' energy: -147.983 flat angles P-C4'-P energy: -108.462 tors. eta vs tors. theta energy: -232.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2554.199995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.199995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.199995 (E_RNA) where: Base-Base interactions energy: -1832.173 where: short stacking energy: -749.605 Base-Backbone interact. energy: -1.583 local terms energy: -720.444550 where: bonds (distance) C4'-P energy: -113.407 bonds (distance) P-C4' energy: -119.754 flat angles C4'-P-C4' energy: -148.851 flat angles P-C4'-P energy: -110.139 tors. eta vs tors. theta energy: -228.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2501.116613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.116613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.116613 (E_RNA) where: Base-Base interactions energy: -1798.836 where: short stacking energy: -721.373 Base-Backbone interact. energy: -0.252 local terms energy: -702.028649 where: bonds (distance) C4'-P energy: -105.999 bonds (distance) P-C4' energy: -121.806 flat angles C4'-P-C4' energy: -146.908 flat angles P-C4'-P energy: -98.693 tors. eta vs tors. theta energy: -228.622 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: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2440.423819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.423819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.423819 (E_RNA) where: Base-Base interactions energy: -1743.470 where: short stacking energy: -693.101 Base-Backbone interact. energy: -1.555 local terms energy: -695.399188 where: bonds (distance) C4'-P energy: -122.159 bonds (distance) P-C4' energy: -118.161 flat angles C4'-P-C4' energy: -145.251 flat angles P-C4'-P energy: -96.700 tors. eta vs tors. theta energy: -213.128 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: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2285.315603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.315603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.315603 (E_RNA) where: Base-Base interactions energy: -1638.675 where: short stacking energy: -655.294 Base-Backbone interact. energy: -3.017 local terms energy: -643.624081 where: bonds (distance) C4'-P energy: -95.459 bonds (distance) P-C4' energy: -115.720 flat angles C4'-P-C4' energy: -144.489 flat angles P-C4'-P energy: -89.592 tors. eta vs tors. theta energy: -198.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2320.690486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.690486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.690486 (E_RNA) where: Base-Base interactions energy: -1687.673 where: short stacking energy: -671.943 Base-Backbone interact. energy: -2.450 local terms energy: -630.568180 where: bonds (distance) C4'-P energy: -108.846 bonds (distance) P-C4' energy: -93.063 flat angles C4'-P-C4' energy: -144.359 flat angles P-C4'-P energy: -85.981 tors. eta vs tors. theta energy: -198.320 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: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1933.769266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.769266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.769266 (E_RNA) where: Base-Base interactions energy: -1349.812 where: short stacking energy: -546.571 Base-Backbone interact. energy: -1.578 local terms energy: -582.378770 where: bonds (distance) C4'-P energy: -114.272 bonds (distance) P-C4' energy: -109.834 flat angles C4'-P-C4' energy: -121.226 flat angles P-C4'-P energy: -83.380 tors. eta vs tors. theta energy: -153.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1181.431238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.431238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.431238 (E_RNA) where: Base-Base interactions energy: -760.382 where: short stacking energy: -333.772 Base-Backbone interact. energy: 5.030 local terms energy: -426.079261 where: bonds (distance) C4'-P energy: -96.799 bonds (distance) P-C4' energy: -108.088 flat angles C4'-P-C4' energy: -114.907 flat angles P-C4'-P energy: -69.275 tors. eta vs tors. theta energy: -37.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -972.244192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.244192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.244192 (E_RNA) where: Base-Base interactions energy: -570.541 where: short stacking energy: -264.525 Base-Backbone interact. energy: -1.029 local terms energy: -400.673810 where: bonds (distance) C4'-P energy: -102.482 bonds (distance) P-C4' energy: -103.858 flat angles C4'-P-C4' energy: -103.437 flat angles P-C4'-P energy: -58.217 tors. eta vs tors. theta energy: -32.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2708.689192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.689192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.689192 (E_RNA) where: Base-Base interactions energy: -1916.902 where: short stacking energy: -745.366 Base-Backbone interact. energy: -4.860 local terms energy: -786.927384 where: bonds (distance) C4'-P energy: -143.746 bonds (distance) P-C4' energy: -152.359 flat angles C4'-P-C4' energy: -159.294 flat angles P-C4'-P energy: -104.520 tors. eta vs tors. theta energy: -227.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2607.378363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.378363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.378363 (E_RNA) where: Base-Base interactions energy: -1853.649 where: short stacking energy: -768.972 Base-Backbone interact. energy: -0.311 local terms energy: -753.418826 where: bonds (distance) C4'-P energy: -137.065 bonds (distance) P-C4' energy: -121.151 flat angles C4'-P-C4' energy: -156.812 flat angles P-C4'-P energy: -111.839 tors. eta vs tors. theta energy: -226.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2546.579591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.579591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.579591 (E_RNA) where: Base-Base interactions energy: -1817.923 where: short stacking energy: -722.817 Base-Backbone interact. energy: -2.426 local terms energy: -726.230371 where: bonds (distance) C4'-P energy: -117.802 bonds (distance) P-C4' energy: -126.041 flat angles C4'-P-C4' energy: -146.350 flat angles P-C4'-P energy: -106.586 tors. eta vs tors. theta energy: -229.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2481.470335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.470335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.470335 (E_RNA) where: Base-Base interactions energy: -1748.630 where: short stacking energy: -736.683 Base-Backbone interact. energy: 0.047 local terms energy: -732.887479 where: bonds (distance) C4'-P energy: -131.728 bonds (distance) P-C4' energy: -137.142 flat angles C4'-P-C4' energy: -148.799 flat angles P-C4'-P energy: -92.122 tors. eta vs tors. theta energy: -223.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2392.453358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.453358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.453358 (E_RNA) where: Base-Base interactions energy: -1699.676 where: short stacking energy: -695.036 Base-Backbone interact. energy: -1.091 local terms energy: -691.686482 where: bonds (distance) C4'-P energy: -113.391 bonds (distance) P-C4' energy: -121.264 flat angles C4'-P-C4' energy: -143.414 flat angles P-C4'-P energy: -96.364 tors. eta vs tors. theta energy: -217.254 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: 4 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2286.097932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.097932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.097932 (E_RNA) where: Base-Base interactions energy: -1628.572 where: short stacking energy: -653.023 Base-Backbone interact. energy: 0.352 local terms energy: -657.877200 where: bonds (distance) C4'-P energy: -128.103 bonds (distance) P-C4' energy: -112.881 flat angles C4'-P-C4' energy: -141.796 flat angles P-C4'-P energy: -91.684 tors. eta vs tors. theta energy: -183.414 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: 3 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2305.350961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.350961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.350961 (E_RNA) where: Base-Base interactions energy: -1624.609 where: short stacking energy: -637.860 Base-Backbone interact. energy: -3.754 local terms energy: -676.987670 where: bonds (distance) C4'-P energy: -110.366 bonds (distance) P-C4' energy: -125.496 flat angles C4'-P-C4' energy: -129.092 flat angles P-C4'-P energy: -98.723 tors. eta vs tors. theta energy: -213.310 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: 5 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1964.061477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.061477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.061477 (E_RNA) where: Base-Base interactions energy: -1370.825 where: short stacking energy: -570.472 Base-Backbone interact. energy: -1.965 local terms energy: -591.271739 where: bonds (distance) C4'-P energy: -103.919 bonds (distance) P-C4' energy: -121.169 flat angles C4'-P-C4' energy: -132.145 flat angles P-C4'-P energy: -72.929 tors. eta vs tors. theta energy: -161.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1207.194061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.194061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.194061 (E_RNA) where: Base-Base interactions energy: -767.915 where: short stacking energy: -333.636 Base-Backbone interact. energy: -2.519 local terms energy: -436.760084 where: bonds (distance) C4'-P energy: -87.862 bonds (distance) P-C4' energy: -116.629 flat angles C4'-P-C4' energy: -119.049 flat angles P-C4'-P energy: -61.537 tors. eta vs tors. theta energy: -51.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -985.012392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.012392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.012392 (E_RNA) where: Base-Base interactions energy: -599.524 where: short stacking energy: -277.916 Base-Backbone interact. energy: 5.204 local terms energy: -390.691879 where: bonds (distance) C4'-P energy: -98.000 bonds (distance) P-C4' energy: -101.660 flat angles C4'-P-C4' energy: -93.639 flat angles P-C4'-P energy: -74.564 tors. eta vs tors. theta energy: -22.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2716.817261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.817261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.817261 (E_RNA) where: Base-Base interactions energy: -1948.494 where: short stacking energy: -783.768 Base-Backbone interact. energy: 4.046 local terms energy: -772.369543 where: bonds (distance) C4'-P energy: -132.122 bonds (distance) P-C4' energy: -133.811 flat angles C4'-P-C4' energy: -165.741 flat angles P-C4'-P energy: -103.814 tors. eta vs tors. theta energy: -236.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2555.353686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.353686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.353686 (E_RNA) where: Base-Base interactions energy: -1805.919 where: short stacking energy: -736.306 Base-Backbone interact. energy: -0.460 local terms energy: -748.974266 where: bonds (distance) C4'-P energy: -119.819 bonds (distance) P-C4' energy: -139.395 flat angles C4'-P-C4' energy: -155.042 flat angles P-C4'-P energy: -113.481 tors. eta vs tors. theta energy: -221.236 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: 3, replica: 9 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2560.796849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.796849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.796849 (E_RNA) where: Base-Base interactions energy: -1832.603 where: short stacking energy: -748.134 Base-Backbone interact. energy: -2.383 local terms energy: -725.811121 where: bonds (distance) C4'-P energy: -135.852 bonds (distance) P-C4' energy: -119.482 flat angles C4'-P-C4' energy: -144.824 flat angles P-C4'-P energy: -101.551 tors. eta vs tors. theta energy: -224.103 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: 355 Temperature: 1.050000 Total energy: -2473.376131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.376131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.376131 (E_RNA) where: Base-Base interactions energy: -1749.324 where: short stacking energy: -731.589 Base-Backbone interact. energy: -2.190 local terms energy: -721.862023 where: bonds (distance) C4'-P energy: -134.623 bonds (distance) P-C4' energy: -122.134 flat angles C4'-P-C4' energy: -136.932 flat angles P-C4'-P energy: -108.221 tors. eta vs tors. theta energy: -219.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2388.759221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.759221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.759221 (E_RNA) where: Base-Base interactions energy: -1709.189 where: short stacking energy: -717.542 Base-Backbone interact. energy: 3.011 local terms energy: -682.580526 where: bonds (distance) C4'-P energy: -113.231 bonds (distance) P-C4' energy: -109.395 flat angles C4'-P-C4' energy: -147.116 flat angles P-C4'-P energy: -90.980 tors. eta vs tors. theta energy: -221.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2354.637958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.637958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.637958 (E_RNA) where: Base-Base interactions energy: -1710.329 where: short stacking energy: -684.617 Base-Backbone interact. energy: 0.558 local terms energy: -644.866891 where: bonds (distance) C4'-P energy: -89.222 bonds (distance) P-C4' energy: -106.023 flat angles C4'-P-C4' energy: -145.861 flat angles P-C4'-P energy: -97.273 tors. eta vs tors. theta energy: -206.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2219.514590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.514590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.514590 (E_RNA) where: Base-Base interactions energy: -1583.024 where: short stacking energy: -632.963 Base-Backbone interact. energy: -0.877 local terms energy: -635.612995 where: bonds (distance) C4'-P energy: -116.459 bonds (distance) P-C4' energy: -112.235 flat angles C4'-P-C4' energy: -130.143 flat angles P-C4'-P energy: -95.632 tors. eta vs tors. theta energy: -181.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1907.413191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.413191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.413191 (E_RNA) where: Base-Base interactions energy: -1322.006 where: short stacking energy: -555.183 Base-Backbone interact. energy: 0.454 local terms energy: -585.861432 where: bonds (distance) C4'-P energy: -98.961 bonds (distance) P-C4' energy: -122.045 flat angles C4'-P-C4' energy: -121.914 flat angles P-C4'-P energy: -93.347 tors. eta vs tors. theta energy: -149.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1134.052813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.052813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.052813 (E_RNA) where: Base-Base interactions energy: -709.343 where: short stacking energy: -326.575 Base-Backbone interact. energy: 6.668 local terms energy: -431.377093 where: bonds (distance) C4'-P energy: -92.283 bonds (distance) P-C4' energy: -115.132 flat angles C4'-P-C4' energy: -109.340 flat angles P-C4'-P energy: -74.146 tors. eta vs tors. theta energy: -40.476 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: 6 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -949.460767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.460767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.460767 (E_RNA) where: Base-Base interactions energy: -541.657 where: short stacking energy: -269.654 Base-Backbone interact. energy: -0.028 local terms energy: -407.776534 where: bonds (distance) C4'-P energy: -112.517 bonds (distance) P-C4' energy: -109.755 flat angles C4'-P-C4' energy: -101.056 flat angles P-C4'-P energy: -60.591 tors. eta vs tors. theta energy: -23.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2701.210492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.210492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.210492 (E_RNA) where: Base-Base interactions energy: -1919.796 where: short stacking energy: -777.325 Base-Backbone interact. energy: -0.987 local terms energy: -780.427450 where: bonds (distance) C4'-P energy: -131.730 bonds (distance) P-C4' energy: -141.543 flat angles C4'-P-C4' energy: -154.773 flat angles P-C4'-P energy: -118.934 tors. eta vs tors. theta energy: -233.446 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: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2571.473150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.473150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.473150 (E_RNA) where: Base-Base interactions energy: -1828.769 where: short stacking energy: -755.821 Base-Backbone interact. energy: -1.960 local terms energy: -740.743241 where: bonds (distance) C4'-P energy: -121.761 bonds (distance) P-C4' energy: -139.760 flat angles C4'-P-C4' energy: -153.414 flat angles P-C4'-P energy: -101.413 tors. eta vs tors. theta energy: -224.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2567.444488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.444488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.444488 (E_RNA) where: Base-Base interactions energy: -1806.751 where: short stacking energy: -752.645 Base-Backbone interact. energy: -0.271 local terms energy: -760.422400 where: bonds (distance) C4'-P energy: -136.662 bonds (distance) P-C4' energy: -119.126 flat angles C4'-P-C4' energy: -158.702 flat angles P-C4'-P energy: -107.867 tors. eta vs tors. theta energy: -238.066 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: 4, replica: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2484.014631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.014631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.014631 (E_RNA) where: Base-Base interactions energy: -1721.210 where: short stacking energy: -722.757 Base-Backbone interact. energy: -1.435 local terms energy: -761.369255 where: bonds (distance) C4'-P energy: -115.025 bonds (distance) P-C4' energy: -140.335 flat angles C4'-P-C4' energy: -150.539 flat angles P-C4'-P energy: -118.071 tors. eta vs tors. theta energy: -237.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2416.799773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.799773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.799773 (E_RNA) where: Base-Base interactions energy: -1740.778 where: short stacking energy: -685.568 Base-Backbone interact. energy: -0.589 local terms energy: -675.433145 where: bonds (distance) C4'-P energy: -136.973 bonds (distance) P-C4' energy: -88.376 flat angles C4'-P-C4' energy: -138.863 flat angles P-C4'-P energy: -94.434 tors. eta vs tors. theta energy: -216.787 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: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2394.665322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.665322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.665322 (E_RNA) where: Base-Base interactions energy: -1697.262 where: short stacking energy: -705.191 Base-Backbone interact. energy: -1.267 local terms energy: -696.136651 where: bonds (distance) C4'-P energy: -109.490 bonds (distance) P-C4' energy: -138.923 flat angles C4'-P-C4' energy: -138.676 flat angles P-C4'-P energy: -94.237 tors. eta vs tors. theta energy: -214.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2225.296452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.296452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.296452 (E_RNA) where: Base-Base interactions energy: -1560.814 where: short stacking energy: -614.140 Base-Backbone interact. energy: -3.253 local terms energy: -661.228832 where: bonds (distance) C4'-P energy: -114.323 bonds (distance) P-C4' energy: -129.458 flat angles C4'-P-C4' energy: -138.363 flat angles P-C4'-P energy: -88.029 tors. eta vs tors. theta energy: -191.055 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: 356 Temperature: 1.250000 Total energy: -1881.086003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.086003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.086003 (E_RNA) where: Base-Base interactions energy: -1305.592 where: short stacking energy: -536.646 Base-Backbone interact. energy: -3.068 local terms energy: -572.426662 where: bonds (distance) C4'-P energy: -108.242 bonds (distance) P-C4' energy: -98.956 flat angles C4'-P-C4' energy: -130.089 flat angles P-C4'-P energy: -88.011 tors. eta vs tors. theta energy: -147.129 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: 9, replica: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1122.564366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.564366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.564366 (E_RNA) where: Base-Base interactions energy: -682.219 where: short stacking energy: -331.789 Base-Backbone interact. energy: 3.207 local terms energy: -443.552483 where: bonds (distance) C4'-P energy: -98.275 bonds (distance) P-C4' energy: -104.805 flat angles C4'-P-C4' energy: -126.383 flat angles P-C4'-P energy: -80.223 tors. eta vs tors. theta energy: -33.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -911.238469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.238469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.238469 (E_RNA) where: Base-Base interactions energy: -548.391 where: short stacking energy: -244.414 Base-Backbone interact. energy: -2.100 local terms energy: -360.747369 where: bonds (distance) C4'-P energy: -95.853 bonds (distance) P-C4' energy: -125.476 flat angles C4'-P-C4' energy: -86.302 flat angles P-C4'-P energy: -55.806 tors. eta vs tors. theta energy: 2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2694.386605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.386605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.386605 (E_RNA) where: Base-Base interactions energy: -1908.779 where: short stacking energy: -778.047 Base-Backbone interact. energy: -2.795 local terms energy: -782.813142 where: bonds (distance) C4'-P energy: -151.923 bonds (distance) P-C4' energy: -130.635 flat angles C4'-P-C4' energy: -153.062 flat angles P-C4'-P energy: -119.055 tors. eta vs tors. theta energy: -228.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2617.838858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.838858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.838858 (E_RNA) where: Base-Base interactions energy: -1867.887 where: short stacking energy: -768.573 Base-Backbone interact. energy: -0.198 local terms energy: -749.754305 where: bonds (distance) C4'-P energy: -117.597 bonds (distance) P-C4' energy: -128.628 flat angles C4'-P-C4' energy: -156.739 flat angles P-C4'-P energy: -113.137 tors. eta vs tors. theta energy: -233.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2540.393805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.393805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.393805 (E_RNA) where: Base-Base interactions energy: -1788.398 where: short stacking energy: -708.903 Base-Backbone interact. energy: -2.023 local terms energy: -749.972512 where: bonds (distance) C4'-P energy: -142.731 bonds (distance) P-C4' energy: -130.071 flat angles C4'-P-C4' energy: -152.262 flat angles P-C4'-P energy: -103.167 tors. eta vs tors. theta energy: -221.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2478.916712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.916712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.916712 (E_RNA) where: Base-Base interactions energy: -1739.326 where: short stacking energy: -714.799 Base-Backbone interact. energy: -0.917 local terms energy: -738.673795 where: bonds (distance) C4'-P energy: -122.855 bonds (distance) P-C4' energy: -133.152 flat angles C4'-P-C4' energy: -154.712 flat angles P-C4'-P energy: -107.890 tors. eta vs tors. theta energy: -220.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2444.362820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.362820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.362820 (E_RNA) where: Base-Base interactions energy: -1712.216 where: short stacking energy: -709.839 Base-Backbone interact. energy: -0.267 local terms energy: -731.879778 where: bonds (distance) C4'-P energy: -129.519 bonds (distance) P-C4' energy: -130.628 flat angles C4'-P-C4' energy: -154.788 flat angles P-C4'-P energy: -96.789 tors. eta vs tors. theta energy: -220.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2300.661698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.661698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.661698 (E_RNA) where: Base-Base interactions energy: -1639.636 where: short stacking energy: -651.012 Base-Backbone interact. energy: 1.077 local terms energy: -662.102974 where: bonds (distance) C4'-P energy: -119.232 bonds (distance) P-C4' energy: -111.539 flat angles C4'-P-C4' energy: -131.546 flat angles P-C4'-P energy: -100.687 tors. eta vs tors. theta energy: -199.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2264.470878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.470878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.470878 (E_RNA) where: Base-Base interactions energy: -1602.625 where: short stacking energy: -650.783 Base-Backbone interact. energy: -0.685 local terms energy: -661.160207 where: bonds (distance) C4'-P energy: -125.325 bonds (distance) P-C4' energy: -123.000 flat angles C4'-P-C4' energy: -134.875 flat angles P-C4'-P energy: -75.846 tors. eta vs tors. theta energy: -202.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1935.743627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.743627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.743627 (E_RNA) where: Base-Base interactions energy: -1364.879 where: short stacking energy: -561.117 Base-Backbone interact. energy: 0.554 local terms energy: -571.419223 where: bonds (distance) C4'-P energy: -125.876 bonds (distance) P-C4' energy: -80.488 flat angles C4'-P-C4' energy: -142.726 flat angles P-C4'-P energy: -75.297 tors. eta vs tors. theta energy: -147.032 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: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1139.811437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.811437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.811437 (E_RNA) where: Base-Base interactions energy: -730.046 where: short stacking energy: -336.325 Base-Backbone interact. energy: 1.391 local terms energy: -411.156864 where: bonds (distance) C4'-P energy: -99.881 bonds (distance) P-C4' energy: -108.949 flat angles C4'-P-C4' energy: -104.331 flat angles P-C4'-P energy: -57.802 tors. eta vs tors. theta energy: -40.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -828.071938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.071938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.071938 (E_RNA) where: Base-Base interactions energy: -451.690 where: short stacking energy: -218.597 Base-Backbone interact. energy: 3.110 local terms energy: -379.491934 where: bonds (distance) C4'-P energy: -113.931 bonds (distance) P-C4' energy: -111.230 flat angles C4'-P-C4' energy: -96.797 flat angles P-C4'-P energy: -51.130 tors. eta vs tors. theta energy: -6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2685.094017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.094017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.094017 (E_RNA) where: Base-Base interactions energy: -1927.694 where: short stacking energy: -747.846 Base-Backbone interact. energy: -3.726 local terms energy: -753.673821 where: bonds (distance) C4'-P energy: -123.523 bonds (distance) P-C4' energy: -137.918 flat angles C4'-P-C4' energy: -158.535 flat angles P-C4'-P energy: -101.069 tors. eta vs tors. theta energy: -232.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2636.729817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.729817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.729817 (E_RNA) where: Base-Base interactions energy: -1867.751 where: short stacking energy: -765.033 Base-Backbone interact. energy: 1.196 local terms energy: -770.175235 where: bonds (distance) C4'-P energy: -139.893 bonds (distance) P-C4' energy: -127.585 flat angles C4'-P-C4' energy: -159.857 flat angles P-C4'-P energy: -117.286 tors. eta vs tors. theta energy: -225.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2518.447254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.447254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.447254 (E_RNA) where: Base-Base interactions energy: -1803.552 where: short stacking energy: -738.921 Base-Backbone interact. energy: 2.390 local terms energy: -717.285382 where: bonds (distance) C4'-P energy: -111.857 bonds (distance) P-C4' energy: -123.956 flat angles C4'-P-C4' energy: -158.523 flat angles P-C4'-P energy: -93.871 tors. eta vs tors. theta energy: -229.078 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: 358 Temperature: 1.050000 Total energy: -2475.900454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.900454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.900454 (E_RNA) where: Base-Base interactions energy: -1771.325 where: short stacking energy: -718.334 Base-Backbone interact. energy: -1.427 local terms energy: -703.147962 where: bonds (distance) C4'-P energy: -114.129 bonds (distance) P-C4' energy: -110.634 flat angles C4'-P-C4' energy: -150.849 flat angles P-C4'-P energy: -111.416 tors. eta vs tors. theta energy: -216.120 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: 358 Temperature: 1.100000 Total energy: -2438.182153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.182153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.182153 (E_RNA) where: Base-Base interactions energy: -1743.184 where: short stacking energy: -713.782 Base-Backbone interact. energy: -0.198 local terms energy: -694.800052 where: bonds (distance) C4'-P energy: -112.388 bonds (distance) P-C4' energy: -121.128 flat angles C4'-P-C4' energy: -151.093 flat angles P-C4'-P energy: -83.566 tors. eta vs tors. theta energy: -226.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2271.271573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.271573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.271573 (E_RNA) where: Base-Base interactions energy: -1631.364 where: short stacking energy: -669.580 Base-Backbone interact. energy: -0.036 local terms energy: -639.871380 where: bonds (distance) C4'-P energy: -98.724 bonds (distance) P-C4' energy: -117.993 flat angles C4'-P-C4' energy: -145.486 flat angles P-C4'-P energy: -82.134 tors. eta vs tors. theta energy: -195.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2217.225785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.225785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.225785 (E_RNA) where: Base-Base interactions energy: -1575.484 where: short stacking energy: -667.786 Base-Backbone interact. energy: 5.034 local terms energy: -646.776520 where: bonds (distance) C4'-P energy: -102.076 bonds (distance) P-C4' energy: -117.909 flat angles C4'-P-C4' energy: -132.628 flat angles P-C4'-P energy: -93.531 tors. eta vs tors. theta energy: -200.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1926.871674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.871674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.871674 (E_RNA) where: Base-Base interactions energy: -1339.486 where: short stacking energy: -537.125 Base-Backbone interact. energy: 0.740 local terms energy: -588.126250 where: bonds (distance) C4'-P energy: -125.445 bonds (distance) P-C4' energy: -116.299 flat angles C4'-P-C4' energy: -119.906 flat angles P-C4'-P energy: -81.762 tors. eta vs tors. theta energy: -144.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1155.393672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.393672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.393672 (E_RNA) where: Base-Base interactions energy: -710.599 where: short stacking energy: -303.079 Base-Backbone interact. energy: 3.906 local terms energy: -448.701099 where: bonds (distance) C4'-P energy: -114.664 bonds (distance) P-C4' energy: -109.383 flat angles C4'-P-C4' energy: -103.293 flat angles P-C4'-P energy: -69.182 tors. eta vs tors. theta energy: -52.179 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: 6 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -793.935511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.935511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.935511 (E_RNA) where: Base-Base interactions energy: -402.827 where: short stacking energy: -200.834 Base-Backbone interact. energy: 2.819 local terms energy: -393.928379 where: bonds (distance) C4'-P energy: -109.918 bonds (distance) P-C4' energy: -108.239 flat angles C4'-P-C4' energy: -108.409 flat angles P-C4'-P energy: -68.234 tors. eta vs tors. theta energy: 0.871 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: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2690.489333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.489333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.489333 (E_RNA) where: Base-Base interactions energy: -1915.228 where: short stacking energy: -762.238 Base-Backbone interact. energy: -0.979 local terms energy: -774.282070 where: bonds (distance) C4'-P energy: -135.798 bonds (distance) P-C4' energy: -138.238 flat angles C4'-P-C4' energy: -156.677 flat angles P-C4'-P energy: -114.728 tors. eta vs tors. theta energy: -228.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2616.874783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.874783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.874783 (E_RNA) where: Base-Base interactions energy: -1850.766 where: short stacking energy: -765.709 Base-Backbone interact. energy: -1.083 local terms energy: -765.025311 where: bonds (distance) C4'-P energy: -139.603 bonds (distance) P-C4' energy: -135.728 flat angles C4'-P-C4' energy: -148.832 flat angles P-C4'-P energy: -104.528 tors. eta vs tors. theta energy: -236.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2516.833441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.833441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.833441 (E_RNA) where: Base-Base interactions energy: -1761.970 where: short stacking energy: -732.231 Base-Backbone interact. energy: -2.205 local terms energy: -752.659006 where: bonds (distance) C4'-P energy: -117.493 bonds (distance) P-C4' energy: -134.132 flat angles C4'-P-C4' energy: -158.663 flat angles P-C4'-P energy: -113.689 tors. eta vs tors. theta energy: -228.682 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: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2479.966939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.966939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.966939 (E_RNA) where: Base-Base interactions energy: -1766.738 where: short stacking energy: -706.549 Base-Backbone interact. energy: -2.691 local terms energy: -710.538077 where: bonds (distance) C4'-P energy: -122.084 bonds (distance) P-C4' energy: -118.241 flat angles C4'-P-C4' energy: -146.788 flat angles P-C4'-P energy: -103.665 tors. eta vs tors. theta energy: -219.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2430.167887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.167887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.167887 (E_RNA) where: Base-Base interactions energy: -1709.238 where: short stacking energy: -705.173 Base-Backbone interact. energy: -0.726 local terms energy: -720.203884 where: bonds (distance) C4'-P energy: -117.773 bonds (distance) P-C4' energy: -122.384 flat angles C4'-P-C4' energy: -139.858 flat angles P-C4'-P energy: -109.224 tors. eta vs tors. theta energy: -230.966 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: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2271.179637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.179637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.179637 (E_RNA) where: Base-Base interactions energy: -1597.855 where: short stacking energy: -647.657 Base-Backbone interact. energy: -0.642 local terms energy: -672.682679 where: bonds (distance) C4'-P energy: -120.940 bonds (distance) P-C4' energy: -129.962 flat angles C4'-P-C4' energy: -149.570 flat angles P-C4'-P energy: -87.494 tors. eta vs tors. theta energy: -184.717 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: 359 Temperature: 1.200000 Total energy: -2157.242873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.242873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.242873 (E_RNA) where: Base-Base interactions energy: -1501.581 where: short stacking energy: -636.111 Base-Backbone interact. energy: -1.104 local terms energy: -654.557141 where: bonds (distance) C4'-P energy: -124.515 bonds (distance) P-C4' energy: -111.359 flat angles C4'-P-C4' energy: -135.800 flat angles P-C4'-P energy: -88.022 tors. eta vs tors. theta energy: -194.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1927.095715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.095715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.095715 (E_RNA) where: Base-Base interactions energy: -1347.598 where: short stacking energy: -519.717 Base-Backbone interact. energy: -2.344 local terms energy: -577.153115 where: bonds (distance) C4'-P energy: -106.989 bonds (distance) P-C4' energy: -108.306 flat angles C4'-P-C4' energy: -117.762 flat angles P-C4'-P energy: -88.492 tors. eta vs tors. theta energy: -155.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1157.870856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.870856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.870856 (E_RNA) where: Base-Base interactions energy: -690.765 where: short stacking energy: -327.828 Base-Backbone interact. energy: 1.558 local terms energy: -468.663686 where: bonds (distance) C4'-P energy: -120.757 bonds (distance) P-C4' energy: -125.482 flat angles C4'-P-C4' energy: -122.232 flat angles P-C4'-P energy: -66.556 tors. eta vs tors. theta energy: -33.637 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: 6 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -831.312789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.312789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.312789 (E_RNA) where: Base-Base interactions energy: -466.975 where: short stacking energy: -210.224 Base-Backbone interact. energy: 0.855 local terms energy: -365.192454 where: bonds (distance) C4'-P energy: -99.368 bonds (distance) P-C4' energy: -112.739 flat angles C4'-P-C4' energy: -96.178 flat angles P-C4'-P energy: -60.843 tors. eta vs tors. theta energy: 3.936 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: 1, replica: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2662.122911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.122911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.122911 (E_RNA) where: Base-Base interactions energy: -1883.266 where: short stacking energy: -784.433 Base-Backbone interact. energy: -0.849 local terms energy: -778.008625 where: bonds (distance) C4'-P energy: -125.098 bonds (distance) P-C4' energy: -137.644 flat angles C4'-P-C4' energy: -160.251 flat angles P-C4'-P energy: -117.021 tors. eta vs tors. theta energy: -237.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2655.537720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.537720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.537720 (E_RNA) where: Base-Base interactions energy: -1894.076 where: short stacking energy: -763.491 Base-Backbone interact. energy: -3.131 local terms energy: -758.330901 where: bonds (distance) C4'-P energy: -133.207 bonds (distance) P-C4' energy: -132.458 flat angles C4'-P-C4' energy: -153.859 flat angles P-C4'-P energy: -114.002 tors. eta vs tors. theta energy: -224.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2531.673350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.673350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.673350 (E_RNA) where: Base-Base interactions energy: -1794.218 where: short stacking energy: -747.719 Base-Backbone interact. energy: -1.480 local terms energy: -735.975484 where: bonds (distance) C4'-P energy: -118.201 bonds (distance) P-C4' energy: -142.429 flat angles C4'-P-C4' energy: -149.733 flat angles P-C4'-P energy: -99.423 tors. eta vs tors. theta energy: -226.189 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: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2472.414796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.414796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.414796 (E_RNA) where: Base-Base interactions energy: -1760.695 where: short stacking energy: -694.634 Base-Backbone interact. energy: -1.731 local terms energy: -709.988806 where: bonds (distance) C4'-P energy: -118.177 bonds (distance) P-C4' energy: -123.379 flat angles C4'-P-C4' energy: -142.476 flat angles P-C4'-P energy: -111.418 tors. eta vs tors. theta energy: -214.538 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: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2456.476045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.476045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.476045 (E_RNA) where: Base-Base interactions energy: -1766.594 where: short stacking energy: -712.893 Base-Backbone interact. energy: -2.095 local terms energy: -687.786417 where: bonds (distance) C4'-P energy: -111.585 bonds (distance) P-C4' energy: -108.527 flat angles C4'-P-C4' energy: -150.738 flat angles P-C4'-P energy: -93.603 tors. eta vs tors. theta energy: -223.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2321.455293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.455293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.455293 (E_RNA) where: Base-Base interactions energy: -1663.422 where: short stacking energy: -675.788 Base-Backbone interact. energy: -1.560 local terms energy: -656.473060 where: bonds (distance) C4'-P energy: -118.406 bonds (distance) P-C4' energy: -121.122 flat angles C4'-P-C4' energy: -122.695 flat angles P-C4'-P energy: -95.638 tors. eta vs tors. theta energy: -198.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2166.295978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.295978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.295978 (E_RNA) where: Base-Base interactions energy: -1517.517 where: short stacking energy: -635.212 Base-Backbone interact. energy: -1.088 local terms energy: -647.690396 where: bonds (distance) C4'-P energy: -110.103 bonds (distance) P-C4' energy: -109.941 flat angles C4'-P-C4' energy: -140.773 flat angles P-C4'-P energy: -95.146 tors. eta vs tors. theta energy: -191.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1949.145778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.145778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.145778 (E_RNA) where: Base-Base interactions energy: -1364.858 where: short stacking energy: -553.550 Base-Backbone interact. energy: -0.619 local terms energy: -583.668657 where: bonds (distance) C4'-P energy: -111.602 bonds (distance) P-C4' energy: -110.113 flat angles C4'-P-C4' energy: -124.356 flat angles P-C4'-P energy: -85.276 tors. eta vs tors. theta energy: -152.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1152.266122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.266122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.266122 (E_RNA) where: Base-Base interactions energy: -709.482 where: short stacking energy: -339.238 Base-Backbone interact. energy: -2.293 local terms energy: -440.491356 where: bonds (distance) C4'-P energy: -114.596 bonds (distance) P-C4' energy: -108.686 flat angles C4'-P-C4' energy: -92.156 flat angles P-C4'-P energy: -70.974 tors. eta vs tors. theta energy: -54.079 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: 6 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -845.108299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.108299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.108299 (E_RNA) where: Base-Base interactions energy: -432.292 where: short stacking energy: -225.597 Base-Backbone interact. energy: 1.121 local terms energy: -413.937420 where: bonds (distance) C4'-P energy: -111.245 bonds (distance) P-C4' energy: -115.021 flat angles C4'-P-C4' energy: -110.745 flat angles P-C4'-P energy: -62.356 tors. eta vs tors. theta energy: -14.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2654.900362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.900362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.900362 (E_RNA) where: Base-Base interactions energy: -1891.584 where: short stacking energy: -780.188 Base-Backbone interact. energy: 3.400 local terms energy: -766.717043 where: bonds (distance) C4'-P energy: -125.465 bonds (distance) P-C4' energy: -138.065 flat angles C4'-P-C4' energy: -160.888 flat angles P-C4'-P energy: -105.238 tors. eta vs tors. theta energy: -237.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2674.498118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.498118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.498118 (E_RNA) where: Base-Base interactions energy: -1920.961 where: short stacking energy: -773.418 Base-Backbone interact. energy: -2.694 local terms energy: -750.843055 where: bonds (distance) C4'-P energy: -126.860 bonds (distance) P-C4' energy: -130.385 flat angles C4'-P-C4' energy: -155.305 flat angles P-C4'-P energy: -103.383 tors. eta vs tors. theta energy: -234.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2554.610605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.610605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.610605 (E_RNA) where: Base-Base interactions energy: -1820.534 where: short stacking energy: -733.196 Base-Backbone interact. energy: 1.369 local terms energy: -735.445877 where: bonds (distance) C4'-P energy: -118.485 bonds (distance) P-C4' energy: -125.829 flat angles C4'-P-C4' energy: -149.690 flat angles P-C4'-P energy: -115.449 tors. eta vs tors. theta energy: -225.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2526.064868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.064868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.064868 (E_RNA) where: Base-Base interactions energy: -1801.749 where: short stacking energy: -746.928 Base-Backbone interact. energy: -2.298 local terms energy: -722.017157 where: bonds (distance) C4'-P energy: -109.314 bonds (distance) P-C4' energy: -125.341 flat angles C4'-P-C4' energy: -156.457 flat angles P-C4'-P energy: -103.295 tors. eta vs tors. theta energy: -227.610 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: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2440.717972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.717972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.717972 (E_RNA) where: Base-Base interactions energy: -1743.735 where: short stacking energy: -730.364 Base-Backbone interact. energy: -0.483 local terms energy: -696.499775 where: bonds (distance) C4'-P energy: -109.733 bonds (distance) P-C4' energy: -108.908 flat angles C4'-P-C4' energy: -147.700 flat angles P-C4'-P energy: -104.000 tors. eta vs tors. theta energy: -226.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2296.079436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.079436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.079436 (E_RNA) where: Base-Base interactions energy: -1631.379 where: short stacking energy: -678.371 Base-Backbone interact. energy: 3.880 local terms energy: -668.581219 where: bonds (distance) C4'-P energy: -107.255 bonds (distance) P-C4' energy: -121.056 flat angles C4'-P-C4' energy: -143.977 flat angles P-C4'-P energy: -88.863 tors. eta vs tors. theta energy: -207.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2181.659252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.659252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.659252 (E_RNA) where: Base-Base interactions energy: -1522.181 where: short stacking energy: -649.555 Base-Backbone interact. energy: -1.007 local terms energy: -658.470558 where: bonds (distance) C4'-P energy: -111.584 bonds (distance) P-C4' energy: -121.519 flat angles C4'-P-C4' energy: -147.433 flat angles P-C4'-P energy: -85.586 tors. eta vs tors. theta energy: -192.349 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: 8, replica: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1932.819642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.819642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.819642 (E_RNA) where: Base-Base interactions energy: -1376.091 where: short stacking energy: -543.516 Base-Backbone interact. energy: 4.603 local terms energy: -561.331524 where: bonds (distance) C4'-P energy: -104.564 bonds (distance) P-C4' energy: -98.803 flat angles C4'-P-C4' energy: -128.201 flat angles P-C4'-P energy: -74.886 tors. eta vs tors. theta energy: -154.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1170.151583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.151583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.151583 (E_RNA) where: Base-Base interactions energy: -758.169 where: short stacking energy: -360.026 Base-Backbone interact. energy: 3.691 local terms energy: -415.673479 where: bonds (distance) C4'-P energy: -92.282 bonds (distance) P-C4' energy: -121.270 flat angles C4'-P-C4' energy: -91.866 flat angles P-C4'-P energy: -67.033 tors. eta vs tors. theta energy: -43.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -921.696324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.696324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.696324 (E_RNA) where: Base-Base interactions energy: -582.260 where: short stacking energy: -270.357 Base-Backbone interact. energy: -0.050 local terms energy: -339.386337 where: bonds (distance) C4'-P energy: -100.741 bonds (distance) P-C4' energy: -101.031 flat angles C4'-P-C4' energy: -102.783 flat angles P-C4'-P energy: -41.812 tors. eta vs tors. theta energy: 6.981 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: 362 Temperature: 0.900000 Total energy: -2660.968752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.968752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.968752 (E_RNA) where: Base-Base interactions energy: -1900.665 where: short stacking energy: -776.327 Base-Backbone interact. energy: -0.075 local terms energy: -760.229029 where: bonds (distance) C4'-P energy: -120.641 bonds (distance) P-C4' energy: -131.115 flat angles C4'-P-C4' energy: -156.931 flat angles P-C4'-P energy: -114.752 tors. eta vs tors. theta energy: -236.790 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: 8 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2641.033967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.033967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.033967 (E_RNA) where: Base-Base interactions energy: -1891.725 where: short stacking energy: -743.485 Base-Backbone interact. energy: -4.150 local terms energy: -745.159065 where: bonds (distance) C4'-P energy: -129.655 bonds (distance) P-C4' energy: -123.504 flat angles C4'-P-C4' energy: -156.914 flat angles P-C4'-P energy: -100.512 tors. eta vs tors. theta energy: -234.572 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: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2569.953466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.953466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.953466 (E_RNA) where: Base-Base interactions energy: -1807.160 where: short stacking energy: -735.299 Base-Backbone interact. energy: 2.367 local terms energy: -765.160593 where: bonds (distance) C4'-P energy: -138.028 bonds (distance) P-C4' energy: -131.642 flat angles C4'-P-C4' energy: -147.587 flat angles P-C4'-P energy: -111.937 tors. eta vs tors. theta energy: -235.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2477.024015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.024015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.024015 (E_RNA) where: Base-Base interactions energy: -1755.758 where: short stacking energy: -724.434 Base-Backbone interact. energy: -1.633 local terms energy: -719.633893 where: bonds (distance) C4'-P energy: -115.018 bonds (distance) P-C4' energy: -126.407 flat angles C4'-P-C4' energy: -149.643 flat angles P-C4'-P energy: -97.671 tors. eta vs tors. theta energy: -230.894 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: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2458.438990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.438990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.438990 (E_RNA) where: Base-Base interactions energy: -1756.380 where: short stacking energy: -726.551 Base-Backbone interact. energy: -0.555 local terms energy: -701.504277 where: bonds (distance) C4'-P energy: -134.887 bonds (distance) P-C4' energy: -116.994 flat angles C4'-P-C4' energy: -142.298 flat angles P-C4'-P energy: -84.526 tors. eta vs tors. theta energy: -222.799 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: 362 Temperature: 1.150000 Total energy: -2312.543429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.543429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.543429 (E_RNA) where: Base-Base interactions energy: -1620.855 where: short stacking energy: -657.210 Base-Backbone interact. energy: -1.427 local terms energy: -690.261341 where: bonds (distance) C4'-P energy: -131.147 bonds (distance) P-C4' energy: -122.718 flat angles C4'-P-C4' energy: -127.432 flat angles P-C4'-P energy: -104.530 tors. eta vs tors. theta energy: -204.434 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: 7, replica: 2 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2116.112729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.112729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.112729 (E_RNA) where: Base-Base interactions energy: -1508.406 where: short stacking energy: -627.816 Base-Backbone interact. energy: -0.168 local terms energy: -607.539461 where: bonds (distance) C4'-P energy: -91.420 bonds (distance) P-C4' energy: -101.379 flat angles C4'-P-C4' energy: -141.632 flat angles P-C4'-P energy: -95.747 tors. eta vs tors. theta energy: -177.362 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: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1920.994383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.994383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.994383 (E_RNA) where: Base-Base interactions energy: -1323.477 where: short stacking energy: -526.082 Base-Backbone interact. energy: -2.081 local terms energy: -595.436422 where: bonds (distance) C4'-P energy: -118.448 bonds (distance) P-C4' energy: -115.890 flat angles C4'-P-C4' energy: -120.366 flat angles P-C4'-P energy: -80.785 tors. eta vs tors. theta energy: -159.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1153.385969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.385969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.385969 (E_RNA) where: Base-Base interactions energy: -776.998 where: short stacking energy: -344.689 Base-Backbone interact. energy: -0.011 local terms energy: -376.377527 where: bonds (distance) C4'-P energy: -90.756 bonds (distance) P-C4' energy: -86.902 flat angles C4'-P-C4' energy: -92.551 flat angles P-C4'-P energy: -56.177 tors. eta vs tors. theta energy: -49.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -896.727736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.727736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.727736 (E_RNA) where: Base-Base interactions energy: -504.983 where: short stacking energy: -247.588 Base-Backbone interact. energy: 2.041 local terms energy: -393.785964 where: bonds (distance) C4'-P energy: -116.060 bonds (distance) P-C4' energy: -112.250 flat angles C4'-P-C4' energy: -93.207 flat angles P-C4'-P energy: -76.519 tors. eta vs tors. theta energy: 4.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2686.982599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.982599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.982599 (E_RNA) where: Base-Base interactions energy: -1901.084 where: short stacking energy: -776.589 Base-Backbone interact. energy: -2.058 local terms energy: -783.839970 where: bonds (distance) C4'-P energy: -140.365 bonds (distance) P-C4' energy: -134.342 flat angles C4'-P-C4' energy: -152.089 flat angles P-C4'-P energy: -111.013 tors. eta vs tors. theta energy: -246.030 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: 2, replica: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2627.740076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.740076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.740076 (E_RNA) where: Base-Base interactions energy: -1877.793 where: short stacking energy: -744.238 Base-Backbone interact. energy: -2.955 local terms energy: -746.992007 where: bonds (distance) C4'-P energy: -116.708 bonds (distance) P-C4' energy: -134.222 flat angles C4'-P-C4' energy: -157.069 flat angles P-C4'-P energy: -110.768 tors. eta vs tors. theta energy: -228.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2566.318167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.318167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.318167 (E_RNA) where: Base-Base interactions energy: -1816.670 where: short stacking energy: -740.825 Base-Backbone interact. energy: 0.163 local terms energy: -749.811199 where: bonds (distance) C4'-P energy: -135.821 bonds (distance) P-C4' energy: -129.172 flat angles C4'-P-C4' energy: -145.009 flat angles P-C4'-P energy: -110.583 tors. eta vs tors. theta energy: -229.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2492.955298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.955298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.955298 (E_RNA) where: Base-Base interactions energy: -1776.020 where: short stacking energy: -729.396 Base-Backbone interact. energy: 1.389 local terms energy: -718.324809 where: bonds (distance) C4'-P energy: -113.520 bonds (distance) P-C4' energy: -121.174 flat angles C4'-P-C4' energy: -147.070 flat angles P-C4'-P energy: -111.354 tors. eta vs tors. theta energy: -225.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2447.828971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.828971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.828971 (E_RNA) where: Base-Base interactions energy: -1748.752 where: short stacking energy: -720.307 Base-Backbone interact. energy: -1.482 local terms energy: -697.594428 where: bonds (distance) C4'-P energy: -110.219 bonds (distance) P-C4' energy: -115.080 flat angles C4'-P-C4' energy: -152.639 flat angles P-C4'-P energy: -98.081 tors. eta vs tors. theta energy: -221.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2323.442468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.442468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.442468 (E_RNA) where: Base-Base interactions energy: -1667.448 where: short stacking energy: -678.782 Base-Backbone interact. energy: 2.887 local terms energy: -658.881392 where: bonds (distance) C4'-P energy: -105.118 bonds (distance) P-C4' energy: -113.473 flat angles C4'-P-C4' energy: -135.222 flat angles P-C4'-P energy: -106.872 tors. eta vs tors. theta energy: -198.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2184.142060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.142060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.142060 (E_RNA) where: Base-Base interactions energy: -1543.054 where: short stacking energy: -641.654 Base-Backbone interact. energy: -0.388 local terms energy: -640.699818 where: bonds (distance) C4'-P energy: -122.046 bonds (distance) P-C4' energy: -122.561 flat angles C4'-P-C4' energy: -139.909 flat angles P-C4'-P energy: -70.187 tors. eta vs tors. theta energy: -185.997 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: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1997.591442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.591442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.591442 (E_RNA) where: Base-Base interactions energy: -1413.487 where: short stacking energy: -550.071 Base-Backbone interact. energy: -0.561 local terms energy: -583.543274 where: bonds (distance) C4'-P energy: -104.737 bonds (distance) P-C4' energy: -118.160 flat angles C4'-P-C4' energy: -111.109 flat angles P-C4'-P energy: -86.041 tors. eta vs tors. theta energy: -163.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1213.625094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.625094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.625094 (E_RNA) where: Base-Base interactions energy: -780.551 where: short stacking energy: -348.578 Base-Backbone interact. energy: -1.870 local terms energy: -431.204123 where: bonds (distance) C4'-P energy: -98.893 bonds (distance) P-C4' energy: -122.685 flat angles C4'-P-C4' energy: -102.943 flat angles P-C4'-P energy: -49.357 tors. eta vs tors. theta energy: -57.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -921.447562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.447562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.447562 (E_RNA) where: Base-Base interactions energy: -503.651 where: short stacking energy: -271.902 Base-Backbone interact. energy: -2.317 local terms energy: -415.479999 where: bonds (distance) C4'-P energy: -114.511 bonds (distance) P-C4' energy: -129.103 flat angles C4'-P-C4' energy: -97.976 flat angles P-C4'-P energy: -53.326 tors. eta vs tors. theta energy: -20.564 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: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2694.348493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.348493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.348493 (E_RNA) where: Base-Base interactions energy: -1915.900 where: short stacking energy: -791.771 Base-Backbone interact. energy: -1.797 local terms energy: -776.651332 where: bonds (distance) C4'-P energy: -135.188 bonds (distance) P-C4' energy: -144.541 flat angles C4'-P-C4' energy: -154.672 flat angles P-C4'-P energy: -102.847 tors. eta vs tors. theta energy: -239.403 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: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2633.927264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.927264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.927264 (E_RNA) where: Base-Base interactions energy: -1868.783 where: short stacking energy: -745.372 Base-Backbone interact. energy: -3.155 local terms energy: -761.988968 where: bonds (distance) C4'-P energy: -128.770 bonds (distance) P-C4' energy: -133.829 flat angles C4'-P-C4' energy: -159.509 flat angles P-C4'-P energy: -110.596 tors. eta vs tors. theta energy: -229.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2582.940419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.940419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.940419 (E_RNA) where: Base-Base interactions energy: -1846.258 where: short stacking energy: -767.467 Base-Backbone interact. energy: -2.017 local terms energy: -734.665426 where: bonds (distance) C4'-P energy: -123.915 bonds (distance) P-C4' energy: -121.151 flat angles C4'-P-C4' energy: -154.678 flat angles P-C4'-P energy: -100.805 tors. eta vs tors. theta energy: -234.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2498.843430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.843430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.843430 (E_RNA) where: Base-Base interactions energy: -1786.964 where: short stacking energy: -736.290 Base-Backbone interact. energy: -0.764 local terms energy: -711.114741 where: bonds (distance) C4'-P energy: -118.875 bonds (distance) P-C4' energy: -112.751 flat angles C4'-P-C4' energy: -152.762 flat angles P-C4'-P energy: -103.513 tors. eta vs tors. theta energy: -223.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2422.347366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.347366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.347366 (E_RNA) where: Base-Base interactions energy: -1715.633 where: short stacking energy: -679.192 Base-Backbone interact. energy: 5.485 local terms energy: -712.200009 where: bonds (distance) C4'-P energy: -94.703 bonds (distance) P-C4' energy: -127.301 flat angles C4'-P-C4' energy: -159.230 flat angles P-C4'-P energy: -114.948 tors. eta vs tors. theta energy: -216.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2273.559690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.559690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.559690 (E_RNA) where: Base-Base interactions energy: -1598.539 where: short stacking energy: -665.205 Base-Backbone interact. energy: -0.234 local terms energy: -674.786283 where: bonds (distance) C4'-P energy: -108.385 bonds (distance) P-C4' energy: -127.091 flat angles C4'-P-C4' energy: -144.848 flat angles P-C4'-P energy: -96.171 tors. eta vs tors. theta energy: -198.292 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: 7, replica: 2 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2222.575717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.575717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.575717 (E_RNA) where: Base-Base interactions energy: -1602.926 where: short stacking energy: -667.478 Base-Backbone interact. energy: 0.327 local terms energy: -619.977142 where: bonds (distance) C4'-P energy: -85.217 bonds (distance) P-C4' energy: -102.367 flat angles C4'-P-C4' energy: -145.379 flat angles P-C4'-P energy: -83.053 tors. eta vs tors. theta energy: -203.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -2006.081958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.081958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.081958 (E_RNA) where: Base-Base interactions energy: -1424.022 where: short stacking energy: -565.978 Base-Backbone interact. energy: -0.646 local terms energy: -581.413696 where: bonds (distance) C4'-P energy: -100.429 bonds (distance) P-C4' energy: -119.983 flat angles C4'-P-C4' energy: -115.915 flat angles P-C4'-P energy: -75.343 tors. eta vs tors. theta energy: -169.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1226.524668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.524668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.524668 (E_RNA) where: Base-Base interactions energy: -757.743 where: short stacking energy: -366.812 Base-Backbone interact. energy: -2.102 local terms energy: -466.679768 where: bonds (distance) C4'-P energy: -110.110 bonds (distance) P-C4' energy: -113.530 flat angles C4'-P-C4' energy: -102.439 flat angles P-C4'-P energy: -75.935 tors. eta vs tors. theta energy: -64.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -882.888685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.888685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.888685 (E_RNA) where: Base-Base interactions energy: -480.696 where: short stacking energy: -248.899 Base-Backbone interact. energy: 0.316 local terms energy: -402.509027 where: bonds (distance) C4'-P energy: -98.722 bonds (distance) P-C4' energy: -112.531 flat angles C4'-P-C4' energy: -99.842 flat angles P-C4'-P energy: -73.521 tors. eta vs tors. theta energy: -17.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2670.175605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.175605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.175605 (E_RNA) where: Base-Base interactions energy: -1891.608 where: short stacking energy: -765.778 Base-Backbone interact. energy: 2.936 local terms energy: -781.503006 where: bonds (distance) C4'-P energy: -138.692 bonds (distance) P-C4' energy: -138.049 flat angles C4'-P-C4' energy: -151.533 flat angles P-C4'-P energy: -115.655 tors. eta vs tors. theta energy: -237.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2662.483895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.483895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.483895 (E_RNA) where: Base-Base interactions energy: -1896.494 where: short stacking energy: -768.298 Base-Backbone interact. energy: 1.116 local terms energy: -767.106159 where: bonds (distance) C4'-P energy: -127.340 bonds (distance) P-C4' energy: -134.096 flat angles C4'-P-C4' energy: -158.006 flat angles P-C4'-P energy: -109.451 tors. eta vs tors. theta energy: -238.212 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: 3, replica: 10 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2571.808452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.808452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.808452 (E_RNA) where: Base-Base interactions energy: -1815.287 where: short stacking energy: -731.089 Base-Backbone interact. energy: -0.563 local terms energy: -755.958811 where: bonds (distance) C4'-P energy: -127.782 bonds (distance) P-C4' energy: -130.372 flat angles C4'-P-C4' energy: -153.131 flat angles P-C4'-P energy: -111.506 tors. eta vs tors. theta energy: -233.169 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: 4, replica: 3 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2490.902228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.902228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.902228 (E_RNA) where: Base-Base interactions energy: -1751.344 where: short stacking energy: -711.810 Base-Backbone interact. energy: -4.346 local terms energy: -735.211599 where: bonds (distance) C4'-P energy: -126.705 bonds (distance) P-C4' energy: -124.511 flat angles C4'-P-C4' energy: -157.279 flat angles P-C4'-P energy: -105.469 tors. eta vs tors. theta energy: -221.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2433.297537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.297537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.297537 (E_RNA) where: Base-Base interactions energy: -1732.005 where: short stacking energy: -697.002 Base-Backbone interact. energy: -1.332 local terms energy: -699.961152 where: bonds (distance) C4'-P energy: -126.227 bonds (distance) P-C4' energy: -124.634 flat angles C4'-P-C4' energy: -152.223 flat angles P-C4'-P energy: -81.182 tors. eta vs tors. theta energy: -215.694 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: 6, replica: 2 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2302.959252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.959252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.959252 (E_RNA) where: Base-Base interactions energy: -1643.978 where: short stacking energy: -673.726 Base-Backbone interact. energy: 1.775 local terms energy: -660.756403 where: bonds (distance) C4'-P energy: -124.534 bonds (distance) P-C4' energy: -107.456 flat angles C4'-P-C4' energy: -129.164 flat angles P-C4'-P energy: -95.825 tors. eta vs tors. theta energy: -203.777 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: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2198.484810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.484810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.484810 (E_RNA) where: Base-Base interactions energy: -1564.719 where: short stacking energy: -629.400 Base-Backbone interact. energy: 2.928 local terms energy: -636.693407 where: bonds (distance) C4'-P energy: -117.619 bonds (distance) P-C4' energy: -114.548 flat angles C4'-P-C4' energy: -147.259 flat angles P-C4'-P energy: -74.638 tors. eta vs tors. theta energy: -182.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -2000.911865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.911865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.911865 (E_RNA) where: Base-Base interactions energy: -1398.625 where: short stacking energy: -572.403 Base-Backbone interact. energy: -1.843 local terms energy: -600.444249 where: bonds (distance) C4'-P energy: -112.045 bonds (distance) P-C4' energy: -112.170 flat angles C4'-P-C4' energy: -121.825 flat angles P-C4'-P energy: -86.722 tors. eta vs tors. theta energy: -167.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1248.002250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.002250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.002250 (E_RNA) where: Base-Base interactions energy: -791.216 where: short stacking energy: -359.178 Base-Backbone interact. energy: 7.326 local terms energy: -464.112628 where: bonds (distance) C4'-P energy: -102.066 bonds (distance) P-C4' energy: -122.626 flat angles C4'-P-C4' energy: -112.170 flat angles P-C4'-P energy: -57.870 tors. eta vs tors. theta energy: -69.381 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: 6 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -855.523012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.523012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.523012 (E_RNA) where: Base-Base interactions energy: -485.673 where: short stacking energy: -252.401 Base-Backbone interact. energy: 3.938 local terms energy: -373.787823 where: bonds (distance) C4'-P energy: -87.839 bonds (distance) P-C4' energy: -107.816 flat angles C4'-P-C4' energy: -102.825 flat angles P-C4'-P energy: -65.919 tors. eta vs tors. theta energy: -9.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2698.742941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.742941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.742941 (E_RNA) where: Base-Base interactions energy: -1924.015 where: short stacking energy: -793.174 Base-Backbone interact. energy: -1.931 local terms energy: -772.797799 where: bonds (distance) C4'-P energy: -135.388 bonds (distance) P-C4' energy: -129.230 flat angles C4'-P-C4' energy: -156.196 flat angles P-C4'-P energy: -114.222 tors. eta vs tors. theta energy: -237.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2654.120011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.120011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.120011 (E_RNA) where: Base-Base interactions energy: -1919.654 where: short stacking energy: -762.748 Base-Backbone interact. energy: -0.546 local terms energy: -733.919826 where: bonds (distance) C4'-P energy: -110.353 bonds (distance) P-C4' energy: -124.258 flat angles C4'-P-C4' energy: -155.985 flat angles P-C4'-P energy: -105.066 tors. eta vs tors. theta energy: -238.259 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: 10 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2545.951474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.951474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.951474 (E_RNA) where: Base-Base interactions energy: -1796.441 where: short stacking energy: -746.438 Base-Backbone interact. energy: 0.515 local terms energy: -750.025957 where: bonds (distance) C4'-P energy: -136.462 bonds (distance) P-C4' energy: -120.955 flat angles C4'-P-C4' energy: -160.523 flat angles P-C4'-P energy: -99.916 tors. eta vs tors. theta energy: -232.169 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: 4, replica: 3 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2484.855971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.855971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.855971 (E_RNA) where: Base-Base interactions energy: -1754.739 where: short stacking energy: -724.709 Base-Backbone interact. energy: 0.209 local terms energy: -730.325905 where: bonds (distance) C4'-P energy: -125.516 bonds (distance) P-C4' energy: -126.989 flat angles C4'-P-C4' energy: -147.937 flat angles P-C4'-P energy: -110.197 tors. eta vs tors. theta energy: -219.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2464.608209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.608209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.608209 (E_RNA) where: Base-Base interactions energy: -1760.219 where: short stacking energy: -696.519 Base-Backbone interact. energy: -1.930 local terms energy: -702.458770 where: bonds (distance) C4'-P energy: -122.781 bonds (distance) P-C4' energy: -132.306 flat angles C4'-P-C4' energy: -144.971 flat angles P-C4'-P energy: -87.547 tors. eta vs tors. theta energy: -214.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2306.576764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.576764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.576764 (E_RNA) where: Base-Base interactions energy: -1627.572 where: short stacking energy: -670.297 Base-Backbone interact. energy: -2.608 local terms energy: -676.396508 where: bonds (distance) C4'-P energy: -107.006 bonds (distance) P-C4' energy: -136.121 flat angles C4'-P-C4' energy: -138.992 flat angles P-C4'-P energy: -90.248 tors. eta vs tors. theta energy: -204.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2180.986985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.986985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.986985 (E_RNA) where: Base-Base interactions energy: -1530.941 where: short stacking energy: -619.593 Base-Backbone interact. energy: -1.406 local terms energy: -648.640828 where: bonds (distance) C4'-P energy: -132.348 bonds (distance) P-C4' energy: -96.584 flat angles C4'-P-C4' energy: -148.562 flat angles P-C4'-P energy: -89.097 tors. eta vs tors. theta energy: -182.049 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: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -2036.677649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.677649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.677649 (E_RNA) where: Base-Base interactions energy: -1452.615 where: short stacking energy: -590.223 Base-Backbone interact. energy: -0.870 local terms energy: -583.192243 where: bonds (distance) C4'-P energy: -111.093 bonds (distance) P-C4' energy: -114.192 flat angles C4'-P-C4' energy: -105.429 flat angles P-C4'-P energy: -81.009 tors. eta vs tors. theta energy: -171.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1261.077527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.077527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.077527 (E_RNA) where: Base-Base interactions energy: -804.892 where: short stacking energy: -341.499 Base-Backbone interact. energy: 4.255 local terms energy: -460.440036 where: bonds (distance) C4'-P energy: -110.484 bonds (distance) P-C4' energy: -111.537 flat angles C4'-P-C4' energy: -117.941 flat angles P-C4'-P energy: -54.754 tors. eta vs tors. theta energy: -65.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -875.136134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.136134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.136134 (E_RNA) where: Base-Base interactions energy: -486.440 where: short stacking energy: -235.525 Base-Backbone interact. energy: -0.022 local terms energy: -388.674588 where: bonds (distance) C4'-P energy: -106.714 bonds (distance) P-C4' energy: -120.545 flat angles C4'-P-C4' energy: -97.390 flat angles P-C4'-P energy: -47.198 tors. eta vs tors. theta energy: -16.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2687.626530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.626530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.626530 (E_RNA) where: Base-Base interactions energy: -1908.278 where: short stacking energy: -789.595 Base-Backbone interact. energy: 0.543 local terms energy: -779.891015 where: bonds (distance) C4'-P energy: -133.692 bonds (distance) P-C4' energy: -128.060 flat angles C4'-P-C4' energy: -162.517 flat angles P-C4'-P energy: -112.431 tors. eta vs tors. theta energy: -243.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2652.435543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.435543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.435543 (E_RNA) where: Base-Base interactions energy: -1920.056 where: short stacking energy: -772.558 Base-Backbone interact. energy: -5.073 local terms energy: -727.306125 where: bonds (distance) C4'-P energy: -123.298 bonds (distance) P-C4' energy: -124.186 flat angles C4'-P-C4' energy: -154.302 flat angles P-C4'-P energy: -101.849 tors. eta vs tors. theta energy: -223.672 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: 3, replica: 10 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2548.509180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.509180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.509180 (E_RNA) where: Base-Base interactions energy: -1802.672 where: short stacking energy: -751.630 Base-Backbone interact. energy: -0.575 local terms energy: -745.262378 where: bonds (distance) C4'-P energy: -117.309 bonds (distance) P-C4' energy: -131.022 flat angles C4'-P-C4' energy: -155.045 flat angles P-C4'-P energy: -112.064 tors. eta vs tors. theta energy: -229.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2500.612682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.612682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.612682 (E_RNA) where: Base-Base interactions energy: -1786.419 where: short stacking energy: -731.444 Base-Backbone interact. energy: -1.785 local terms energy: -712.408763 where: bonds (distance) C4'-P energy: -123.393 bonds (distance) P-C4' energy: -121.603 flat angles C4'-P-C4' energy: -143.475 flat angles P-C4'-P energy: -98.914 tors. eta vs tors. theta energy: -225.024 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: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2469.316293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.316293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.316293 (E_RNA) where: Base-Base interactions energy: -1758.011 where: short stacking energy: -716.176 Base-Backbone interact. energy: -1.322 local terms energy: -709.982920 where: bonds (distance) C4'-P energy: -116.779 bonds (distance) P-C4' energy: -126.749 flat angles C4'-P-C4' energy: -156.468 flat angles P-C4'-P energy: -88.386 tors. eta vs tors. theta energy: -221.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2281.853563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.853563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.853563 (E_RNA) where: Base-Base interactions energy: -1601.400 where: short stacking energy: -653.514 Base-Backbone interact. energy: -3.811 local terms energy: -676.642939 where: bonds (distance) C4'-P energy: -124.940 bonds (distance) P-C4' energy: -116.398 flat angles C4'-P-C4' energy: -142.200 flat angles P-C4'-P energy: -109.576 tors. eta vs tors. theta energy: -183.529 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: 2 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2243.574410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.574410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.574410 (E_RNA) where: Base-Base interactions energy: -1603.522 where: short stacking energy: -655.404 Base-Backbone interact. energy: -2.787 local terms energy: -637.264820 where: bonds (distance) C4'-P energy: -118.051 bonds (distance) P-C4' energy: -99.652 flat angles C4'-P-C4' energy: -131.252 flat angles P-C4'-P energy: -88.063 tors. eta vs tors. theta energy: -200.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -2056.964566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.964566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.964566 (E_RNA) where: Base-Base interactions energy: -1452.742 where: short stacking energy: -593.266 Base-Backbone interact. energy: 0.125 local terms energy: -604.347566 where: bonds (distance) C4'-P energy: -109.641 bonds (distance) P-C4' energy: -102.891 flat angles C4'-P-C4' energy: -138.606 flat angles P-C4'-P energy: -73.355 tors. eta vs tors. theta energy: -179.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1294.674632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.674632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.674632 (E_RNA) where: Base-Base interactions energy: -825.731 where: short stacking energy: -345.863 Base-Backbone interact. energy: -1.974 local terms energy: -466.969583 where: bonds (distance) C4'-P energy: -115.433 bonds (distance) P-C4' energy: -109.681 flat angles C4'-P-C4' energy: -105.776 flat angles P-C4'-P energy: -70.323 tors. eta vs tors. theta energy: -65.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -869.451737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.451737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.451737 (E_RNA) where: Base-Base interactions energy: -515.105 where: short stacking energy: -268.498 Base-Backbone interact. energy: 1.896 local terms energy: -356.241970 where: bonds (distance) C4'-P energy: -105.475 bonds (distance) P-C4' energy: -85.851 flat angles C4'-P-C4' energy: -95.699 flat angles P-C4'-P energy: -54.179 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: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2690.878765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.878765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.878765 (E_RNA) where: Base-Base interactions energy: -1916.675 where: short stacking energy: -785.747 Base-Backbone interact. energy: -0.812 local terms energy: -773.392058 where: bonds (distance) C4'-P energy: -125.498 bonds (distance) P-C4' energy: -135.371 flat angles C4'-P-C4' energy: -155.698 flat angles P-C4'-P energy: -114.659 tors. eta vs tors. theta energy: -242.165 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: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2669.467791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.467791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.467791 (E_RNA) where: Base-Base interactions energy: -1918.276 where: short stacking energy: -748.974 Base-Backbone interact. energy: -4.727 local terms energy: -746.464672 where: bonds (distance) C4'-P energy: -115.758 bonds (distance) P-C4' energy: -144.568 flat angles C4'-P-C4' energy: -151.418 flat angles P-C4'-P energy: -108.692 tors. eta vs tors. theta energy: -226.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2579.758986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.758986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.758986 (E_RNA) where: Base-Base interactions energy: -1822.141 where: short stacking energy: -762.662 Base-Backbone interact. energy: -0.630 local terms energy: -756.987960 where: bonds (distance) C4'-P energy: -132.476 bonds (distance) P-C4' energy: -133.491 flat angles C4'-P-C4' energy: -152.191 flat angles P-C4'-P energy: -101.456 tors. eta vs tors. theta energy: -237.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2489.586936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.586936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.586936 (E_RNA) where: Base-Base interactions energy: -1759.492 where: short stacking energy: -702.354 Base-Backbone interact. energy: 1.014 local terms energy: -731.109590 where: bonds (distance) C4'-P energy: -132.094 bonds (distance) P-C4' energy: -130.521 flat angles C4'-P-C4' energy: -148.993 flat angles P-C4'-P energy: -112.583 tors. eta vs tors. theta energy: -206.919 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: 1 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2449.480518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.480518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.480518 (E_RNA) where: Base-Base interactions energy: -1724.979 where: short stacking energy: -706.679 Base-Backbone interact. energy: -2.415 local terms energy: -722.086254 where: bonds (distance) C4'-P energy: -120.901 bonds (distance) P-C4' energy: -132.956 flat angles C4'-P-C4' energy: -147.735 flat angles P-C4'-P energy: -96.316 tors. eta vs tors. theta energy: -224.178 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: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2342.452847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.452847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.452847 (E_RNA) where: Base-Base interactions energy: -1696.472 where: short stacking energy: -689.755 Base-Backbone interact. energy: -0.779 local terms energy: -645.201394 where: bonds (distance) C4'-P energy: -103.014 bonds (distance) P-C4' energy: -118.443 flat angles C4'-P-C4' energy: -136.433 flat angles P-C4'-P energy: -80.102 tors. eta vs tors. theta energy: -207.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2222.239014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.239014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.239014 (E_RNA) where: Base-Base interactions energy: -1589.808 where: short stacking energy: -620.906 Base-Backbone interact. energy: 0.534 local terms energy: -632.965155 where: bonds (distance) C4'-P energy: -116.523 bonds (distance) P-C4' energy: -93.598 flat angles C4'-P-C4' energy: -144.257 flat angles P-C4'-P energy: -80.265 tors. eta vs tors. theta energy: -198.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1999.730313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.730313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.730313 (E_RNA) where: Base-Base interactions energy: -1435.076 where: short stacking energy: -595.688 Base-Backbone interact. energy: -2.071 local terms energy: -562.582785 where: bonds (distance) C4'-P energy: -90.029 bonds (distance) P-C4' energy: -112.301 flat angles C4'-P-C4' energy: -109.101 flat angles P-C4'-P energy: -79.629 tors. eta vs tors. theta energy: -171.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1340.517044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.517044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.517044 (E_RNA) where: Base-Base interactions energy: -896.565 where: short stacking energy: -378.895 Base-Backbone interact. energy: 1.615 local terms energy: -445.566628 where: bonds (distance) C4'-P energy: -95.359 bonds (distance) P-C4' energy: -120.738 flat angles C4'-P-C4' energy: -98.718 flat angles P-C4'-P energy: -67.930 tors. eta vs tors. theta energy: -62.822 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: 6 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -864.448672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.448672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.448672 (E_RNA) where: Base-Base interactions energy: -498.569 where: short stacking energy: -239.838 Base-Backbone interact. energy: -0.030 local terms energy: -365.849796 where: bonds (distance) C4'-P energy: -106.226 bonds (distance) P-C4' energy: -113.279 flat angles C4'-P-C4' energy: -103.451 flat angles P-C4'-P energy: -49.474 tors. eta vs tors. theta energy: 6.579 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: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2713.637236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.637236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.637236 (E_RNA) where: Base-Base interactions energy: -1932.311 where: short stacking energy: -786.164 Base-Backbone interact. energy: -2.741 local terms energy: -778.586124 where: bonds (distance) C4'-P energy: -141.633 bonds (distance) P-C4' energy: -136.192 flat angles C4'-P-C4' energy: -158.322 flat angles P-C4'-P energy: -110.405 tors. eta vs tors. theta energy: -232.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2650.476204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.476204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.476204 (E_RNA) where: Base-Base interactions energy: -1898.257 where: short stacking energy: -739.966 Base-Backbone interact. energy: -2.671 local terms energy: -749.548906 where: bonds (distance) C4'-P energy: -130.184 bonds (distance) P-C4' energy: -134.406 flat angles C4'-P-C4' energy: -150.436 flat angles P-C4'-P energy: -109.186 tors. eta vs tors. theta energy: -225.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2582.333421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.333421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.333421 (E_RNA) where: Base-Base interactions energy: -1861.587 where: short stacking energy: -765.457 Base-Backbone interact. energy: -1.786 local terms energy: -718.960658 where: bonds (distance) C4'-P energy: -113.510 bonds (distance) P-C4' energy: -120.250 flat angles C4'-P-C4' energy: -160.065 flat angles P-C4'-P energy: -90.317 tors. eta vs tors. theta energy: -234.818 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: 4, replica: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2514.672849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.672849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.672849 (E_RNA) where: Base-Base interactions energy: -1775.120 where: short stacking energy: -715.018 Base-Backbone interact. energy: -1.256 local terms energy: -738.296595 where: bonds (distance) C4'-P energy: -129.979 bonds (distance) P-C4' energy: -118.478 flat angles C4'-P-C4' energy: -154.207 flat angles P-C4'-P energy: -115.662 tors. eta vs tors. theta energy: -219.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2434.227070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.227070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.227070 (E_RNA) where: Base-Base interactions energy: -1743.880 where: short stacking energy: -694.428 Base-Backbone interact. energy: 0.231 local terms energy: -690.577684 where: bonds (distance) C4'-P energy: -109.738 bonds (distance) P-C4' energy: -126.935 flat angles C4'-P-C4' energy: -135.579 flat angles P-C4'-P energy: -109.530 tors. eta vs tors. theta energy: -208.796 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: 4 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2263.388541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.388541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.388541 (E_RNA) where: Base-Base interactions energy: -1588.556 where: short stacking energy: -638.686 Base-Backbone interact. energy: -0.953 local terms energy: -673.879631 where: bonds (distance) C4'-P energy: -120.014 bonds (distance) P-C4' energy: -118.056 flat angles C4'-P-C4' energy: -148.325 flat angles P-C4'-P energy: -92.213 tors. eta vs tors. theta energy: -195.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2224.792384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.792384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.792384 (E_RNA) where: Base-Base interactions energy: -1589.783 where: short stacking energy: -659.375 Base-Backbone interact. energy: -1.151 local terms energy: -633.858876 where: bonds (distance) C4'-P energy: -106.638 bonds (distance) P-C4' energy: -110.238 flat angles C4'-P-C4' energy: -133.746 flat angles P-C4'-P energy: -85.275 tors. eta vs tors. theta energy: -197.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1999.110129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.110129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.110129 (E_RNA) where: Base-Base interactions energy: -1404.630 where: short stacking energy: -574.808 Base-Backbone interact. energy: -0.832 local terms energy: -593.648129 where: bonds (distance) C4'-P energy: -124.976 bonds (distance) P-C4' energy: -104.813 flat angles C4'-P-C4' energy: -123.161 flat angles P-C4'-P energy: -78.082 tors. eta vs tors. theta energy: -162.616 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: 9, replica: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1324.460629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.460629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.460629 (E_RNA) where: Base-Base interactions energy: -831.994 where: short stacking energy: -371.090 Base-Backbone interact. energy: -1.218 local terms energy: -491.248876 where: bonds (distance) C4'-P energy: -101.682 bonds (distance) P-C4' energy: -131.047 flat angles C4'-P-C4' energy: -123.622 flat angles P-C4'-P energy: -70.928 tors. eta vs tors. theta energy: -63.969 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: 6 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -811.569284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.569284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.569284 (E_RNA) where: Base-Base interactions energy: -425.401 where: short stacking energy: -237.780 Base-Backbone interact. energy: 0.183 local terms energy: -386.351465 where: bonds (distance) C4'-P energy: -102.222 bonds (distance) P-C4' energy: -102.468 flat angles C4'-P-C4' energy: -105.447 flat angles P-C4'-P energy: -69.323 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: 1, replica: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2673.096592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.096592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.096592 (E_RNA) where: Base-Base interactions energy: -1902.202 where: short stacking energy: -780.855 Base-Backbone interact. energy: -0.905 local terms energy: -769.989180 where: bonds (distance) C4'-P energy: -125.073 bonds (distance) P-C4' energy: -138.351 flat angles C4'-P-C4' energy: -151.620 flat angles P-C4'-P energy: -119.053 tors. eta vs tors. theta energy: -235.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2652.019173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.019173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.019173 (E_RNA) where: Base-Base interactions energy: -1898.478 where: short stacking energy: -752.833 Base-Backbone interact. energy: -1.096 local terms energy: -752.445377 where: bonds (distance) C4'-P energy: -128.076 bonds (distance) P-C4' energy: -115.197 flat angles C4'-P-C4' energy: -165.628 flat angles P-C4'-P energy: -111.028 tors. eta vs tors. theta energy: -232.516 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: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2585.789820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.789820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.789820 (E_RNA) where: Base-Base interactions energy: -1836.057 where: short stacking energy: -761.898 Base-Backbone interact. energy: -0.394 local terms energy: -749.338766 where: bonds (distance) C4'-P energy: -123.813 bonds (distance) P-C4' energy: -135.754 flat angles C4'-P-C4' energy: -149.421 flat angles P-C4'-P energy: -111.742 tors. eta vs tors. theta energy: -228.609 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: 4, replica: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2519.787283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.787283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.787283 (E_RNA) where: Base-Base interactions energy: -1813.550 where: short stacking energy: -721.834 Base-Backbone interact. energy: -3.321 local terms energy: -702.916393 where: bonds (distance) C4'-P energy: -101.132 bonds (distance) P-C4' energy: -121.199 flat angles C4'-P-C4' energy: -156.519 flat angles P-C4'-P energy: -104.272 tors. eta vs tors. theta energy: -219.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2454.646159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.646159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.646159 (E_RNA) where: Base-Base interactions energy: -1731.684 where: short stacking energy: -700.375 Base-Backbone interact. energy: -0.489 local terms energy: -722.473403 where: bonds (distance) C4'-P energy: -125.447 bonds (distance) P-C4' energy: -131.953 flat angles C4'-P-C4' energy: -147.793 flat angles P-C4'-P energy: -100.261 tors. eta vs tors. theta energy: -217.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2307.956422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.956422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.956422 (E_RNA) where: Base-Base interactions energy: -1631.806 where: short stacking energy: -677.453 Base-Backbone interact. energy: 2.236 local terms energy: -678.386149 where: bonds (distance) C4'-P energy: -118.528 bonds (distance) P-C4' energy: -115.172 flat angles C4'-P-C4' energy: -147.532 flat angles P-C4'-P energy: -93.255 tors. eta vs tors. theta energy: -203.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2196.776710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.776710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.776710 (E_RNA) where: Base-Base interactions energy: -1552.632 where: short stacking energy: -634.709 Base-Backbone interact. energy: -2.583 local terms energy: -641.561127 where: bonds (distance) C4'-P energy: -101.686 bonds (distance) P-C4' energy: -106.857 flat angles C4'-P-C4' energy: -136.737 flat angles P-C4'-P energy: -101.892 tors. eta vs tors. theta energy: -194.389 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: 5 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1992.769861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.769861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.769861 (E_RNA) where: Base-Base interactions energy: -1410.109 where: short stacking energy: -577.122 Base-Backbone interact. energy: 2.749 local terms energy: -585.409288 where: bonds (distance) C4'-P energy: -120.240 bonds (distance) P-C4' energy: -109.418 flat angles C4'-P-C4' energy: -129.348 flat angles P-C4'-P energy: -63.808 tors. eta vs tors. theta energy: -162.596 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: 7 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1306.959109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.959109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.959109 (E_RNA) where: Base-Base interactions energy: -889.829 where: short stacking energy: -377.718 Base-Backbone interact. energy: 5.250 local terms energy: -422.380500 where: bonds (distance) C4'-P energy: -87.646 bonds (distance) P-C4' energy: -101.101 flat angles C4'-P-C4' energy: -116.600 flat angles P-C4'-P energy: -62.125 tors. eta vs tors. theta energy: -54.908 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: 6 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -762.273220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.273220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.273220 (E_RNA) where: Base-Base interactions energy: -406.563 where: short stacking energy: -202.151 Base-Backbone interact. energy: 0.622 local terms energy: -356.331510 where: bonds (distance) C4'-P energy: -86.266 bonds (distance) P-C4' energy: -103.986 flat angles C4'-P-C4' energy: -98.882 flat angles P-C4'-P energy: -56.782 tors. eta vs tors. theta energy: -10.415 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: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2702.937751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.937751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.937751 (E_RNA) where: Base-Base interactions energy: -1927.874 where: short stacking energy: -796.195 Base-Backbone interact. energy: -2.099 local terms energy: -772.963971 where: bonds (distance) C4'-P energy: -130.903 bonds (distance) P-C4' energy: -132.292 flat angles C4'-P-C4' energy: -167.101 flat angles P-C4'-P energy: -102.005 tors. eta vs tors. theta energy: -240.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2638.676921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.676921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.676921 (E_RNA) where: Base-Base interactions energy: -1898.525 where: short stacking energy: -736.898 Base-Backbone interact. energy: -0.589 local terms energy: -739.563072 where: bonds (distance) C4'-P energy: -127.032 bonds (distance) P-C4' energy: -136.117 flat angles C4'-P-C4' energy: -147.916 flat angles P-C4'-P energy: -108.275 tors. eta vs tors. theta energy: -220.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2539.066789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.066789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.066789 (E_RNA) where: Base-Base interactions energy: -1814.740 where: short stacking energy: -739.447 Base-Backbone interact. energy: -0.046 local terms energy: -724.281309 where: bonds (distance) C4'-P energy: -113.921 bonds (distance) P-C4' energy: -132.752 flat angles C4'-P-C4' energy: -153.568 flat angles P-C4'-P energy: -108.769 tors. eta vs tors. theta energy: -215.272 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: 3 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2476.869495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.869495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.869495 (E_RNA) where: Base-Base interactions energy: -1801.834 where: short stacking energy: -735.876 Base-Backbone interact. energy: 5.414 local terms energy: -680.448924 where: bonds (distance) C4'-P energy: -114.068 bonds (distance) P-C4' energy: -110.310 flat angles C4'-P-C4' energy: -140.282 flat angles P-C4'-P energy: -101.828 tors. eta vs tors. theta energy: -213.961 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: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2435.126981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.126981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.126981 (E_RNA) where: Base-Base interactions energy: -1739.611 where: short stacking energy: -711.972 Base-Backbone interact. energy: -0.689 local terms energy: -694.827512 where: bonds (distance) C4'-P energy: -116.986 bonds (distance) P-C4' energy: -120.206 flat angles C4'-P-C4' energy: -154.856 flat angles P-C4'-P energy: -79.872 tors. eta vs tors. theta energy: -222.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2253.089821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.089821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.089821 (E_RNA) where: Base-Base interactions energy: -1581.620 where: short stacking energy: -650.165 Base-Backbone interact. energy: -2.213 local terms energy: -669.256669 where: bonds (distance) C4'-P energy: -128.674 bonds (distance) P-C4' energy: -116.642 flat angles C4'-P-C4' energy: -136.702 flat angles P-C4'-P energy: -93.686 tors. eta vs tors. theta energy: -193.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2229.124631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.124631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.124631 (E_RNA) where: Base-Base interactions energy: -1583.901 where: short stacking energy: -653.974 Base-Backbone interact. energy: -1.545 local terms energy: -643.678392 where: bonds (distance) C4'-P energy: -109.371 bonds (distance) P-C4' energy: -128.155 flat angles C4'-P-C4' energy: -135.449 flat angles P-C4'-P energy: -80.319 tors. eta vs tors. theta energy: -190.384 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: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1982.509925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.509925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.509925 (E_RNA) where: Base-Base interactions energy: -1414.510 where: short stacking energy: -574.936 Base-Backbone interact. energy: -1.248 local terms energy: -566.752006 where: bonds (distance) C4'-P energy: -86.112 bonds (distance) P-C4' energy: -93.751 flat angles C4'-P-C4' energy: -145.574 flat angles P-C4'-P energy: -83.433 tors. eta vs tors. theta energy: -157.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1322.463557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.463557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.463557 (E_RNA) where: Base-Base interactions energy: -863.340 where: short stacking energy: -393.349 Base-Backbone interact. energy: -2.520 local terms energy: -456.604155 where: bonds (distance) C4'-P energy: -83.089 bonds (distance) P-C4' energy: -101.425 flat angles C4'-P-C4' energy: -132.231 flat angles P-C4'-P energy: -66.891 tors. eta vs tors. theta energy: -72.968 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: 6 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -778.190460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.190460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.190460 (E_RNA) where: Base-Base interactions energy: -410.973 where: short stacking energy: -219.828 Base-Backbone interact. energy: 3.930 local terms energy: -371.148153 where: bonds (distance) C4'-P energy: -101.419 bonds (distance) P-C4' energy: -100.268 flat angles C4'-P-C4' energy: -100.566 flat angles P-C4'-P energy: -49.630 tors. eta vs tors. theta energy: -19.265 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: 9 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2681.742658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.742658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.742658 (E_RNA) where: Base-Base interactions energy: -1905.043 where: short stacking energy: -780.996 Base-Backbone interact. energy: -1.635 local terms energy: -775.064377 where: bonds (distance) C4'-P energy: -122.283 bonds (distance) P-C4' energy: -128.284 flat angles C4'-P-C4' energy: -166.092 flat angles P-C4'-P energy: -113.436 tors. eta vs tors. theta energy: -244.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2636.741249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.741249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.741249 (E_RNA) where: Base-Base interactions energy: -1905.877 where: short stacking energy: -758.439 Base-Backbone interact. energy: -2.555 local terms energy: -728.308871 where: bonds (distance) C4'-P energy: -111.812 bonds (distance) P-C4' energy: -132.175 flat angles C4'-P-C4' energy: -152.459 flat angles P-C4'-P energy: -110.585 tors. eta vs tors. theta energy: -221.277 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: 3, replica: 10 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2543.196977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.196977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.196977 (E_RNA) where: Base-Base interactions energy: -1769.011 where: short stacking energy: -716.826 Base-Backbone interact. energy: -0.946 local terms energy: -773.240145 where: bonds (distance) C4'-P energy: -139.415 bonds (distance) P-C4' energy: -147.501 flat angles C4'-P-C4' energy: -156.180 flat angles P-C4'-P energy: -103.865 tors. eta vs tors. theta energy: -226.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2510.551971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.551971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.551971 (E_RNA) where: Base-Base interactions energy: -1820.644 where: short stacking energy: -741.982 Base-Backbone interact. energy: -0.678 local terms energy: -689.230409 where: bonds (distance) C4'-P energy: -126.465 bonds (distance) P-C4' energy: -114.627 flat angles C4'-P-C4' energy: -129.034 flat angles P-C4'-P energy: -99.414 tors. eta vs tors. theta energy: -219.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2437.447900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.447900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.447900 (E_RNA) where: Base-Base interactions energy: -1730.160 where: short stacking energy: -719.095 Base-Backbone interact. energy: -0.617 local terms energy: -706.671630 where: bonds (distance) C4'-P energy: -125.077 bonds (distance) P-C4' energy: -110.067 flat angles C4'-P-C4' energy: -144.543 flat angles P-C4'-P energy: -95.747 tors. eta vs tors. theta energy: -231.238 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: 6, replica: 4 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2318.283885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.283885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.283885 (E_RNA) where: Base-Base interactions energy: -1678.511 where: short stacking energy: -678.386 Base-Backbone interact. energy: 0.870 local terms energy: -640.642585 where: bonds (distance) C4'-P energy: -108.396 bonds (distance) P-C4' energy: -109.004 flat angles C4'-P-C4' energy: -134.868 flat angles P-C4'-P energy: -84.853 tors. eta vs tors. theta energy: -203.521 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: 2 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2256.710426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.710426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.710426 (E_RNA) where: Base-Base interactions energy: -1641.332 where: short stacking energy: -692.625 Base-Backbone interact. energy: -2.444 local terms energy: -612.934103 where: bonds (distance) C4'-P energy: -83.774 bonds (distance) P-C4' energy: -105.720 flat angles C4'-P-C4' energy: -138.086 flat angles P-C4'-P energy: -77.931 tors. eta vs tors. theta energy: -207.423 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: 8, replica: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1965.468324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.468324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.468324 (E_RNA) where: Base-Base interactions energy: -1364.689 where: short stacking energy: -555.489 Base-Backbone interact. energy: -0.284 local terms energy: -600.495269 where: bonds (distance) C4'-P energy: -102.098 bonds (distance) P-C4' energy: -102.269 flat angles C4'-P-C4' energy: -129.247 flat angles P-C4'-P energy: -94.829 tors. eta vs tors. theta energy: -172.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1300.947230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.947230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.947230 (E_RNA) where: Base-Base interactions energy: -836.831 where: short stacking energy: -380.530 Base-Backbone interact. energy: 5.824 local terms energy: -469.939849 where: bonds (distance) C4'-P energy: -111.757 bonds (distance) P-C4' energy: -123.583 flat angles C4'-P-C4' energy: -109.964 flat angles P-C4'-P energy: -58.757 tors. eta vs tors. theta energy: -65.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -785.084078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.084078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.084078 (E_RNA) where: Base-Base interactions energy: -394.434 where: short stacking energy: -213.295 Base-Backbone interact. energy: 9.252 local terms energy: -399.901195 where: bonds (distance) C4'-P energy: -109.888 bonds (distance) P-C4' energy: -109.464 flat angles C4'-P-C4' energy: -97.552 flat angles P-C4'-P energy: -85.760 tors. eta vs tors. theta energy: 2.762 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: 9 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2699.457705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.457705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.457705 (E_RNA) where: Base-Base interactions energy: -1932.143 where: short stacking energy: -810.482 Base-Backbone interact. energy: -0.209 local terms energy: -767.105700 where: bonds (distance) C4'-P energy: -132.375 bonds (distance) P-C4' energy: -132.796 flat angles C4'-P-C4' energy: -154.500 flat angles P-C4'-P energy: -104.318 tors. eta vs tors. theta energy: -243.117 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: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2627.226215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.226215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.226215 (E_RNA) where: Base-Base interactions energy: -1888.603 where: short stacking energy: -761.428 Base-Backbone interact. energy: -1.361 local terms energy: -737.262388 where: bonds (distance) C4'-P energy: -141.609 bonds (distance) P-C4' energy: -120.793 flat angles C4'-P-C4' energy: -152.614 flat angles P-C4'-P energy: -98.111 tors. eta vs tors. theta energy: -224.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2547.380280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.380280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.380280 (E_RNA) where: Base-Base interactions energy: -1806.175 where: short stacking energy: -749.728 Base-Backbone interact. energy: 3.264 local terms energy: -744.468790 where: bonds (distance) C4'-P energy: -120.033 bonds (distance) P-C4' energy: -125.436 flat angles C4'-P-C4' energy: -161.521 flat angles P-C4'-P energy: -105.951 tors. eta vs tors. theta energy: -231.526 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: 3 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2508.491787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.491787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.491787 (E_RNA) where: Base-Base interactions energy: -1777.545 where: short stacking energy: -708.174 Base-Backbone interact. energy: -0.414 local terms energy: -730.532267 where: bonds (distance) C4'-P energy: -132.261 bonds (distance) P-C4' energy: -127.487 flat angles C4'-P-C4' energy: -146.192 flat angles P-C4'-P energy: -100.949 tors. eta vs tors. theta energy: -223.643 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: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2416.263527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.263527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.263527 (E_RNA) where: Base-Base interactions energy: -1732.497 where: short stacking energy: -726.359 Base-Backbone interact. energy: 4.079 local terms energy: -687.845548 where: bonds (distance) C4'-P energy: -103.537 bonds (distance) P-C4' energy: -118.476 flat angles C4'-P-C4' energy: -131.141 flat angles P-C4'-P energy: -104.714 tors. eta vs tors. theta energy: -229.978 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: 373 Temperature: 1.150000 Total energy: -2307.122414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.122414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.122414 (E_RNA) where: Base-Base interactions energy: -1649.976 where: short stacking energy: -656.506 Base-Backbone interact. energy: -2.464 local terms energy: -654.682089 where: bonds (distance) C4'-P energy: -111.731 bonds (distance) P-C4' energy: -123.837 flat angles C4'-P-C4' energy: -127.304 flat angles P-C4'-P energy: -103.495 tors. eta vs tors. theta energy: -188.315 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: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2249.676735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.676735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.676735 (E_RNA) where: Base-Base interactions energy: -1588.068 where: short stacking energy: -643.279 Base-Backbone interact. energy: -1.173 local terms energy: -660.435841 where: bonds (distance) C4'-P energy: -107.810 bonds (distance) P-C4' energy: -110.703 flat angles C4'-P-C4' energy: -141.062 flat angles P-C4'-P energy: -85.477 tors. eta vs tors. theta energy: -215.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -2021.537011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.537011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.537011 (E_RNA) where: Base-Base interactions energy: -1417.661 where: short stacking energy: -601.261 Base-Backbone interact. energy: -3.641 local terms energy: -600.235066 where: bonds (distance) C4'-P energy: -97.782 bonds (distance) P-C4' energy: -107.791 flat angles C4'-P-C4' energy: -120.313 flat angles P-C4'-P energy: -90.537 tors. eta vs tors. theta energy: -183.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1326.441350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.441350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.441350 (E_RNA) where: Base-Base interactions energy: -851.062 where: short stacking energy: -374.815 Base-Backbone interact. energy: 1.663 local terms energy: -477.042404 where: bonds (distance) C4'-P energy: -120.705 bonds (distance) P-C4' energy: -116.632 flat angles C4'-P-C4' energy: -101.842 flat angles P-C4'-P energy: -61.066 tors. eta vs tors. theta energy: -76.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -758.217918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.217918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.217918 (E_RNA) where: Base-Base interactions energy: -397.008 where: short stacking energy: -198.752 Base-Backbone interact. energy: -4.109 local terms energy: -357.100829 where: bonds (distance) C4'-P energy: -124.323 bonds (distance) P-C4' energy: -116.167 flat angles C4'-P-C4' energy: -91.893 flat angles P-C4'-P energy: -43.981 tors. eta vs tors. theta energy: 19.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2672.763166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.763166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.763166 (E_RNA) where: Base-Base interactions energy: -1895.585 where: short stacking energy: -775.528 Base-Backbone interact. energy: -1.305 local terms energy: -775.873935 where: bonds (distance) C4'-P energy: -131.649 bonds (distance) P-C4' energy: -138.118 flat angles C4'-P-C4' energy: -150.834 flat angles P-C4'-P energy: -120.327 tors. eta vs tors. theta energy: -234.947 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: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2674.432460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.432460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.432460 (E_RNA) where: Base-Base interactions energy: -1924.279 where: short stacking energy: -762.492 Base-Backbone interact. energy: 2.100 local terms energy: -752.253562 where: bonds (distance) C4'-P energy: -133.202 bonds (distance) P-C4' energy: -123.290 flat angles C4'-P-C4' energy: -159.107 flat angles P-C4'-P energy: -107.849 tors. eta vs tors. theta energy: -228.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2574.726148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.726148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.726148 (E_RNA) where: Base-Base interactions energy: -1846.049 where: short stacking energy: -748.152 Base-Backbone interact. energy: -2.801 local terms energy: -725.876663 where: bonds (distance) C4'-P energy: -122.984 bonds (distance) P-C4' energy: -119.535 flat angles C4'-P-C4' energy: -153.576 flat angles P-C4'-P energy: -100.843 tors. eta vs tors. theta energy: -228.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2516.999053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.999053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.999053 (E_RNA) where: Base-Base interactions energy: -1791.263 where: short stacking energy: -735.362 Base-Backbone interact. energy: 0.547 local terms energy: -726.282928 where: bonds (distance) C4'-P energy: -136.130 bonds (distance) P-C4' energy: -124.782 flat angles C4'-P-C4' energy: -157.927 flat angles P-C4'-P energy: -84.382 tors. eta vs tors. theta energy: -223.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2464.232869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.232869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.232869 (E_RNA) where: Base-Base interactions energy: -1726.622 where: short stacking energy: -719.100 Base-Backbone interact. energy: -1.479 local terms energy: -736.131556 where: bonds (distance) C4'-P energy: -132.722 bonds (distance) P-C4' energy: -123.939 flat angles C4'-P-C4' energy: -148.860 flat angles P-C4'-P energy: -94.779 tors. eta vs tors. theta energy: -235.831 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: 4 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2289.334688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.334688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.334688 (E_RNA) where: Base-Base interactions energy: -1645.227 where: short stacking energy: -637.703 Base-Backbone interact. energy: -3.244 local terms energy: -640.862958 where: bonds (distance) C4'-P energy: -96.629 bonds (distance) P-C4' energy: -110.789 flat angles C4'-P-C4' energy: -147.489 flat angles P-C4'-P energy: -97.620 tors. eta vs tors. theta energy: -188.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2231.607539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.607539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.607539 (E_RNA) where: Base-Base interactions energy: -1576.939 where: short stacking energy: -660.822 Base-Backbone interact. energy: -0.476 local terms energy: -654.192989 where: bonds (distance) C4'-P energy: -99.055 bonds (distance) P-C4' energy: -118.659 flat angles C4'-P-C4' energy: -131.193 flat angles P-C4'-P energy: -92.043 tors. eta vs tors. theta energy: -213.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1937.620355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.620355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.620355 (E_RNA) where: Base-Base interactions energy: -1382.785 where: short stacking energy: -553.799 Base-Backbone interact. energy: 2.873 local terms energy: -557.708330 where: bonds (distance) C4'-P energy: -99.053 bonds (distance) P-C4' energy: -130.149 flat angles C4'-P-C4' energy: -119.014 flat angles P-C4'-P energy: -76.087 tors. eta vs tors. theta energy: -133.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1407.093307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.093307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.093307 (E_RNA) where: Base-Base interactions energy: -918.780 where: short stacking energy: -407.800 Base-Backbone interact. energy: 0.916 local terms energy: -489.229565 where: bonds (distance) C4'-P energy: -110.232 bonds (distance) P-C4' energy: -129.062 flat angles C4'-P-C4' energy: -105.624 flat angles P-C4'-P energy: -69.430 tors. eta vs tors. theta energy: -74.882 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: 6 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -743.268792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.268792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.268792 (E_RNA) where: Base-Base interactions energy: -387.244 where: short stacking energy: -199.179 Base-Backbone interact. energy: 0.909 local terms energy: -356.933673 where: bonds (distance) C4'-P energy: -115.136 bonds (distance) P-C4' energy: -111.025 flat angles C4'-P-C4' energy: -101.007 flat angles P-C4'-P energy: -42.287 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: 1, replica: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2660.981306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.981306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.981306 (E_RNA) where: Base-Base interactions energy: -1897.388 where: short stacking energy: -786.113 Base-Backbone interact. energy: -1.101 local terms energy: -762.492796 where: bonds (distance) C4'-P energy: -114.811 bonds (distance) P-C4' energy: -137.506 flat angles C4'-P-C4' energy: -163.820 flat angles P-C4'-P energy: -108.948 tors. eta vs tors. theta energy: -237.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2651.569485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.569485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.569485 (E_RNA) where: Base-Base interactions energy: -1899.604 where: short stacking energy: -741.872 Base-Backbone interact. energy: -3.480 local terms energy: -748.484995 where: bonds (distance) C4'-P energy: -130.807 bonds (distance) P-C4' energy: -135.004 flat angles C4'-P-C4' energy: -148.963 flat angles P-C4'-P energy: -99.975 tors. eta vs tors. theta energy: -233.736 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: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2565.731812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.731812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.731812 (E_RNA) where: Base-Base interactions energy: -1853.216 where: short stacking energy: -722.859 Base-Backbone interact. energy: -1.864 local terms energy: -710.651107 where: bonds (distance) C4'-P energy: -113.593 bonds (distance) P-C4' energy: -133.996 flat angles C4'-P-C4' energy: -141.663 flat angles P-C4'-P energy: -97.343 tors. eta vs tors. theta energy: -224.056 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: 10 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2505.764223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.764223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.764223 (E_RNA) where: Base-Base interactions energy: -1783.932 where: short stacking energy: -733.297 Base-Backbone interact. energy: -2.132 local terms energy: -719.700247 where: bonds (distance) C4'-P energy: -113.100 bonds (distance) P-C4' energy: -127.908 flat angles C4'-P-C4' energy: -159.868 flat angles P-C4'-P energy: -98.061 tors. eta vs tors. theta energy: -220.764 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: 1 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2452.678936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.678936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.678936 (E_RNA) where: Base-Base interactions energy: -1712.778 where: short stacking energy: -716.685 Base-Backbone interact. energy: -2.632 local terms energy: -737.268963 where: bonds (distance) C4'-P energy: -116.682 bonds (distance) P-C4' energy: -129.073 flat angles C4'-P-C4' energy: -152.083 flat angles P-C4'-P energy: -109.029 tors. eta vs tors. theta energy: -230.402 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: 4 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2320.127097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.127097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.127097 (E_RNA) where: Base-Base interactions energy: -1669.334 where: short stacking energy: -659.955 Base-Backbone interact. energy: -3.721 local terms energy: -647.071533 where: bonds (distance) C4'-P energy: -116.853 bonds (distance) P-C4' energy: -102.752 flat angles C4'-P-C4' energy: -142.600 flat angles P-C4'-P energy: -90.219 tors. eta vs tors. theta energy: -194.647 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: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2242.216088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.216088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.216088 (E_RNA) where: Base-Base interactions energy: -1583.741 where: short stacking energy: -663.473 Base-Backbone interact. energy: -0.420 local terms energy: -658.055387 where: bonds (distance) C4'-P energy: -89.545 bonds (distance) P-C4' energy: -129.322 flat angles C4'-P-C4' energy: -140.098 flat angles P-C4'-P energy: -93.103 tors. eta vs tors. theta energy: -205.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -2015.117972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.117972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.117972 (E_RNA) where: Base-Base interactions energy: -1427.805 where: short stacking energy: -578.742 Base-Backbone interact. energy: -0.742 local terms energy: -586.570575 where: bonds (distance) C4'-P energy: -107.288 bonds (distance) P-C4' energy: -109.971 flat angles C4'-P-C4' energy: -122.518 flat angles P-C4'-P energy: -80.841 tors. eta vs tors. theta energy: -165.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1381.378283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.378283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.378283 (E_RNA) where: Base-Base interactions energy: -923.220 where: short stacking energy: -395.960 Base-Backbone interact. energy: 2.083 local terms energy: -460.241624 where: bonds (distance) C4'-P energy: -110.342 bonds (distance) P-C4' energy: -105.006 flat angles C4'-P-C4' energy: -100.186 flat angles P-C4'-P energy: -64.246 tors. eta vs tors. theta energy: -80.461 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: 6 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -722.857964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.857964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.857964 (E_RNA) where: Base-Base interactions energy: -376.402 where: short stacking energy: -193.310 Base-Backbone interact. energy: -3.673 local terms energy: -342.783469 where: bonds (distance) C4'-P energy: -94.517 bonds (distance) P-C4' energy: -95.553 flat angles C4'-P-C4' energy: -107.122 flat angles P-C4'-P energy: -56.470 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: 1, replica: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2722.216109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.216109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.216109 (E_RNA) where: Base-Base interactions energy: -1930.696 where: short stacking energy: -765.576 Base-Backbone interact. energy: -1.821 local terms energy: -789.699373 where: bonds (distance) C4'-P energy: -134.271 bonds (distance) P-C4' energy: -149.492 flat angles C4'-P-C4' energy: -162.532 flat angles P-C4'-P energy: -115.154 tors. eta vs tors. theta energy: -228.250 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: 9 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2610.833317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.833317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.833317 (E_RNA) where: Base-Base interactions energy: -1874.749 where: short stacking energy: -774.464 Base-Backbone interact. energy: -2.431 local terms energy: -733.653526 where: bonds (distance) C4'-P energy: -112.848 bonds (distance) P-C4' energy: -136.113 flat angles C4'-P-C4' energy: -146.571 flat angles P-C4'-P energy: -107.302 tors. eta vs tors. theta energy: -230.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2584.393975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.393975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.393975 (E_RNA) where: Base-Base interactions energy: -1868.205 where: short stacking energy: -736.901 Base-Backbone interact. energy: 1.894 local terms energy: -718.082667 where: bonds (distance) C4'-P energy: -119.026 bonds (distance) P-C4' energy: -134.638 flat angles C4'-P-C4' energy: -148.507 flat angles P-C4'-P energy: -92.585 tors. eta vs tors. theta energy: -223.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2508.244778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.244778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.244778 (E_RNA) where: Base-Base interactions energy: -1786.438 where: short stacking energy: -751.213 Base-Backbone interact. energy: 0.322 local terms energy: -722.128842 where: bonds (distance) C4'-P energy: -132.162 bonds (distance) P-C4' energy: -114.068 flat angles C4'-P-C4' energy: -149.435 flat angles P-C4'-P energy: -101.007 tors. eta vs tors. theta energy: -225.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2380.618339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.618339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.618339 (E_RNA) where: Base-Base interactions energy: -1716.408 where: short stacking energy: -689.110 Base-Backbone interact. energy: 0.975 local terms energy: -665.185625 where: bonds (distance) C4'-P energy: -120.102 bonds (distance) P-C4' energy: -104.933 flat angles C4'-P-C4' energy: -143.178 flat angles P-C4'-P energy: -92.750 tors. eta vs tors. theta energy: -204.222 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: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2370.012688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.012688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.012688 (E_RNA) where: Base-Base interactions energy: -1702.972 where: short stacking energy: -702.739 Base-Backbone interact. energy: -2.203 local terms energy: -664.838040 where: bonds (distance) C4'-P energy: -120.905 bonds (distance) P-C4' energy: -105.882 flat angles C4'-P-C4' energy: -129.469 flat angles P-C4'-P energy: -93.423 tors. eta vs tors. theta energy: -215.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2220.245225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.245225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.245225 (E_RNA) where: Base-Base interactions energy: -1553.497 where: short stacking energy: -643.941 Base-Backbone interact. energy: 3.701 local terms energy: -670.449160 where: bonds (distance) C4'-P energy: -113.259 bonds (distance) P-C4' energy: -136.695 flat angles C4'-P-C4' energy: -126.990 flat angles P-C4'-P energy: -94.402 tors. eta vs tors. theta energy: -199.103 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: 376 Temperature: 1.250000 Total energy: -2017.427438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.427438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.427438 (E_RNA) where: Base-Base interactions energy: -1436.037 where: short stacking energy: -564.160 Base-Backbone interact. energy: -1.995 local terms energy: -579.394692 where: bonds (distance) C4'-P energy: -119.793 bonds (distance) P-C4' energy: -90.484 flat angles C4'-P-C4' energy: -127.536 flat angles P-C4'-P energy: -76.294 tors. eta vs tors. theta energy: -165.288 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: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1374.656584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.656584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.656584 (E_RNA) where: Base-Base interactions energy: -894.280 where: short stacking energy: -403.871 Base-Backbone interact. energy: 7.166 local terms energy: -487.542805 where: bonds (distance) C4'-P energy: -108.765 bonds (distance) P-C4' energy: -109.367 flat angles C4'-P-C4' energy: -120.271 flat angles P-C4'-P energy: -77.625 tors. eta vs tors. theta energy: -71.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -757.733987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.733987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.733987 (E_RNA) where: Base-Base interactions energy: -413.236 where: short stacking energy: -216.223 Base-Backbone interact. energy: 1.864 local terms energy: -346.362503 where: bonds (distance) C4'-P energy: -106.472 bonds (distance) P-C4' energy: -86.292 flat angles C4'-P-C4' energy: -95.923 flat angles P-C4'-P energy: -45.786 tors. eta vs tors. theta energy: -11.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2712.943911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.943911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.943911 (E_RNA) where: Base-Base interactions energy: -1963.334 where: short stacking energy: -776.030 Base-Backbone interact. energy: -0.748 local terms energy: -748.861485 where: bonds (distance) C4'-P energy: -122.237 bonds (distance) P-C4' energy: -129.097 flat angles C4'-P-C4' energy: -148.847 flat angles P-C4'-P energy: -113.565 tors. eta vs tors. theta energy: -235.116 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: 9 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2652.235377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.235377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.235377 (E_RNA) where: Base-Base interactions energy: -1875.194 where: short stacking energy: -778.927 Base-Backbone interact. energy: -1.982 local terms energy: -775.059238 where: bonds (distance) C4'-P energy: -133.932 bonds (distance) P-C4' energy: -132.478 flat angles C4'-P-C4' energy: -161.498 flat angles P-C4'-P energy: -113.787 tors. eta vs tors. theta energy: -233.364 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: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2543.177444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.177444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.177444 (E_RNA) where: Base-Base interactions energy: -1822.767 where: short stacking energy: -738.541 Base-Backbone interact. energy: 1.233 local terms energy: -721.642931 where: bonds (distance) C4'-P energy: -120.123 bonds (distance) P-C4' energy: -128.477 flat angles C4'-P-C4' energy: -146.531 flat angles P-C4'-P energy: -105.445 tors. eta vs tors. theta energy: -221.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2507.575067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.575067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.575067 (E_RNA) where: Base-Base interactions energy: -1769.690 where: short stacking energy: -709.258 Base-Backbone interact. energy: -0.901 local terms energy: -736.984304 where: bonds (distance) C4'-P energy: -115.910 bonds (distance) P-C4' energy: -127.421 flat angles C4'-P-C4' energy: -156.106 flat angles P-C4'-P energy: -111.017 tors. eta vs tors. theta energy: -226.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2379.304789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.304789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.304789 (E_RNA) where: Base-Base interactions energy: -1712.791 where: short stacking energy: -668.354 Base-Backbone interact. energy: -1.613 local terms energy: -664.900590 where: bonds (distance) C4'-P energy: -108.022 bonds (distance) P-C4' energy: -107.869 flat angles C4'-P-C4' energy: -152.599 flat angles P-C4'-P energy: -92.403 tors. eta vs tors. theta energy: -204.007 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: 377 Temperature: 1.150000 Total energy: -2355.739986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.739986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.739986 (E_RNA) where: Base-Base interactions energy: -1678.120 where: short stacking energy: -680.578 Base-Backbone interact. energy: -1.416 local terms energy: -676.204116 where: bonds (distance) C4'-P energy: -121.609 bonds (distance) P-C4' energy: -101.545 flat angles C4'-P-C4' energy: -146.847 flat angles P-C4'-P energy: -84.101 tors. eta vs tors. theta energy: -222.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2197.961123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.961123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.961123 (E_RNA) where: Base-Base interactions energy: -1554.052 where: short stacking energy: -629.441 Base-Backbone interact. energy: -3.103 local terms energy: -640.806571 where: bonds (distance) C4'-P energy: -98.390 bonds (distance) P-C4' energy: -120.999 flat angles C4'-P-C4' energy: -142.406 flat angles P-C4'-P energy: -83.046 tors. eta vs tors. theta energy: -195.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -2100.224411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.224411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.224411 (E_RNA) where: Base-Base interactions energy: -1493.614 where: short stacking energy: -629.391 Base-Backbone interact. energy: -0.808 local terms energy: -605.802811 where: bonds (distance) C4'-P energy: -104.069 bonds (distance) P-C4' energy: -102.743 flat angles C4'-P-C4' energy: -130.444 flat angles P-C4'-P energy: -74.585 tors. eta vs tors. theta energy: -193.961 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: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1411.980394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.980394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.980394 (E_RNA) where: Base-Base interactions energy: -934.209 where: short stacking energy: -422.558 Base-Backbone interact. energy: -0.778 local terms energy: -476.993664 where: bonds (distance) C4'-P energy: -117.176 bonds (distance) P-C4' energy: -117.572 flat angles C4'-P-C4' energy: -97.899 flat angles P-C4'-P energy: -67.600 tors. eta vs tors. theta energy: -76.747 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: 6 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -797.042998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.042998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.042998 (E_RNA) where: Base-Base interactions energy: -413.435 where: short stacking energy: -242.059 Base-Backbone interact. energy: 9.803 local terms energy: -393.411085 where: bonds (distance) C4'-P energy: -98.473 bonds (distance) P-C4' energy: -128.446 flat angles C4'-P-C4' energy: -93.820 flat angles P-C4'-P energy: -55.060 tors. eta vs tors. theta energy: -17.611 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: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2700.707554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.707554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.707554 (E_RNA) where: Base-Base interactions energy: -1933.043 where: short stacking energy: -777.777 Base-Backbone interact. energy: -3.315 local terms energy: -764.350201 where: bonds (distance) C4'-P energy: -124.622 bonds (distance) P-C4' energy: -142.032 flat angles C4'-P-C4' energy: -161.585 flat angles P-C4'-P energy: -109.763 tors. eta vs tors. theta energy: -226.348 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: 378 Temperature: 0.950000 Total energy: -2640.153423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.153423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.153423 (E_RNA) where: Base-Base interactions energy: -1881.552 where: short stacking energy: -776.335 Base-Backbone interact. energy: -0.709 local terms energy: -757.893275 where: bonds (distance) C4'-P energy: -124.758 bonds (distance) P-C4' energy: -135.136 flat angles C4'-P-C4' energy: -154.922 flat angles P-C4'-P energy: -106.835 tors. eta vs tors. theta energy: -236.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2565.425079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.425079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.425079 (E_RNA) where: Base-Base interactions energy: -1860.133 where: short stacking energy: -754.116 Base-Backbone interact. energy: -2.840 local terms energy: -702.451367 where: bonds (distance) C4'-P energy: -120.257 bonds (distance) P-C4' energy: -107.464 flat angles C4'-P-C4' energy: -157.352 flat angles P-C4'-P energy: -91.781 tors. eta vs tors. theta energy: -225.598 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: 4, replica: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2488.298632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.298632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.298632 (E_RNA) where: Base-Base interactions energy: -1772.771 where: short stacking energy: -709.597 Base-Backbone interact. energy: -1.681 local terms energy: -713.846999 where: bonds (distance) C4'-P energy: -119.819 bonds (distance) P-C4' energy: -113.725 flat angles C4'-P-C4' energy: -157.669 flat angles P-C4'-P energy: -102.408 tors. eta vs tors. theta energy: -220.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2372.237045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.237045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.237045 (E_RNA) where: Base-Base interactions energy: -1698.561 where: short stacking energy: -684.961 Base-Backbone interact. energy: -2.215 local terms energy: -671.460586 where: bonds (distance) C4'-P energy: -106.361 bonds (distance) P-C4' energy: -121.307 flat angles C4'-P-C4' energy: -147.718 flat angles P-C4'-P energy: -97.248 tors. eta vs tors. theta energy: -198.826 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: 378 Temperature: 1.150000 Total energy: -2407.375176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.375176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.375176 (E_RNA) where: Base-Base interactions energy: -1740.996 where: short stacking energy: -714.685 Base-Backbone interact. energy: 1.518 local terms energy: -667.896663 where: bonds (distance) C4'-P energy: -96.009 bonds (distance) P-C4' energy: -109.054 flat angles C4'-P-C4' energy: -132.198 flat angles P-C4'-P energy: -104.619 tors. eta vs tors. theta energy: -226.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2218.044286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.044286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.044286 (E_RNA) where: Base-Base interactions energy: -1571.020 where: short stacking energy: -649.495 Base-Backbone interact. energy: -0.354 local terms energy: -646.670280 where: bonds (distance) C4'-P energy: -101.682 bonds (distance) P-C4' energy: -109.172 flat angles C4'-P-C4' energy: -142.042 flat angles P-C4'-P energy: -97.466 tors. eta vs tors. theta energy: -196.309 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: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1998.914508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.914508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.914508 (E_RNA) where: Base-Base interactions energy: -1405.751 where: short stacking energy: -561.231 Base-Backbone interact. energy: 1.852 local terms energy: -595.015563 where: bonds (distance) C4'-P energy: -118.452 bonds (distance) P-C4' energy: -124.569 flat angles C4'-P-C4' energy: -121.300 flat angles P-C4'-P energy: -81.917 tors. eta vs tors. theta energy: -148.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1365.779381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.779381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.779381 (E_RNA) where: Base-Base interactions energy: -897.286 where: short stacking energy: -389.865 Base-Backbone interact. energy: 2.512 local terms energy: -471.005591 where: bonds (distance) C4'-P energy: -115.400 bonds (distance) P-C4' energy: -119.349 flat angles C4'-P-C4' energy: -97.036 flat angles P-C4'-P energy: -55.040 tors. eta vs tors. theta energy: -84.181 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: 10, replica: 6 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -744.782953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.782953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.782953 (E_RNA) where: Base-Base interactions energy: -406.032 where: short stacking energy: -230.978 Base-Backbone interact. energy: 8.313 local terms energy: -347.063599 where: bonds (distance) C4'-P energy: -102.879 bonds (distance) P-C4' energy: -111.056 flat angles C4'-P-C4' energy: -92.199 flat angles P-C4'-P energy: -40.656 tors. eta vs tors. theta energy: -0.274 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: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2682.287043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.287043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.287043 (E_RNA) where: Base-Base interactions energy: -1923.351 where: short stacking energy: -741.159 Base-Backbone interact. energy: -3.914 local terms energy: -755.022790 where: bonds (distance) C4'-P energy: -126.480 bonds (distance) P-C4' energy: -141.606 flat angles C4'-P-C4' energy: -159.802 flat angles P-C4'-P energy: -107.980 tors. eta vs tors. theta energy: -219.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2631.209853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.209853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.209853 (E_RNA) where: Base-Base interactions energy: -1858.765 where: short stacking energy: -768.755 Base-Backbone interact. energy: -2.115 local terms energy: -770.329876 where: bonds (distance) C4'-P energy: -124.098 bonds (distance) P-C4' energy: -133.196 flat angles C4'-P-C4' energy: -162.179 flat angles P-C4'-P energy: -115.652 tors. eta vs tors. theta energy: -235.205 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: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2573.529879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.529879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.529879 (E_RNA) where: Base-Base interactions energy: -1849.643 where: short stacking energy: -744.555 Base-Backbone interact. energy: -1.625 local terms energy: -722.262572 where: bonds (distance) C4'-P energy: -123.589 bonds (distance) P-C4' energy: -124.543 flat angles C4'-P-C4' energy: -145.525 flat angles P-C4'-P energy: -97.348 tors. eta vs tors. theta energy: -231.257 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: 10 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2499.294259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.294259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.294259 (E_RNA) where: Base-Base interactions energy: -1792.403 where: short stacking energy: -741.217 Base-Backbone interact. energy: -0.016 local terms energy: -706.875226 where: bonds (distance) C4'-P energy: -108.397 bonds (distance) P-C4' energy: -119.216 flat angles C4'-P-C4' energy: -149.252 flat angles P-C4'-P energy: -97.953 tors. eta vs tors. theta energy: -232.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2343.293098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.293098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.293098 (E_RNA) where: Base-Base interactions energy: -1666.287 where: short stacking energy: -677.824 Base-Backbone interact. energy: -1.330 local terms energy: -675.675978 where: bonds (distance) C4'-P energy: -103.285 bonds (distance) P-C4' energy: -135.842 flat angles C4'-P-C4' energy: -143.083 flat angles P-C4'-P energy: -90.754 tors. eta vs tors. theta energy: -202.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2382.086024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.086024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.086024 (E_RNA) where: Base-Base interactions energy: -1693.179 where: short stacking energy: -684.731 Base-Backbone interact. energy: 2.148 local terms energy: -691.055731 where: bonds (distance) C4'-P energy: -116.271 bonds (distance) P-C4' energy: -119.573 flat angles C4'-P-C4' energy: -141.236 flat angles P-C4'-P energy: -96.027 tors. eta vs tors. theta energy: -217.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2181.719398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.719398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.719398 (E_RNA) where: Base-Base interactions energy: -1542.623 where: short stacking energy: -617.179 Base-Backbone interact. energy: -1.600 local terms energy: -637.496745 where: bonds (distance) C4'-P energy: -99.642 bonds (distance) P-C4' energy: -116.521 flat angles C4'-P-C4' energy: -128.321 flat angles P-C4'-P energy: -91.603 tors. eta vs tors. theta energy: -201.410 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: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -2064.164749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.164749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.164749 (E_RNA) where: Base-Base interactions energy: -1474.433 where: short stacking energy: -604.655 Base-Backbone interact. energy: -3.911 local terms energy: -585.820657 where: bonds (distance) C4'-P energy: -92.975 bonds (distance) P-C4' energy: -105.716 flat angles C4'-P-C4' energy: -137.529 flat angles P-C4'-P energy: -75.087 tors. eta vs tors. theta energy: -174.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1457.892560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.892560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.892560 (E_RNA) where: Base-Base interactions energy: -973.994 where: short stacking energy: -401.637 Base-Backbone interact. energy: -3.533 local terms energy: -480.365312 where: bonds (distance) C4'-P energy: -106.853 bonds (distance) P-C4' energy: -112.579 flat angles C4'-P-C4' energy: -112.611 flat angles P-C4'-P energy: -75.149 tors. eta vs tors. theta energy: -73.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -710.757775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.757775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.757775 (E_RNA) where: Base-Base interactions energy: -347.817 where: short stacking energy: -187.093 Base-Backbone interact. energy: 2.668 local terms energy: -365.608844 where: bonds (distance) C4'-P energy: -113.888 bonds (distance) P-C4' energy: -117.145 flat angles C4'-P-C4' energy: -99.965 flat angles P-C4'-P energy: -57.065 tors. eta vs tors. theta energy: 22.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2685.839348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.839348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.839348 (E_RNA) where: Base-Base interactions energy: -1916.093 where: short stacking energy: -767.590 Base-Backbone interact. energy: 0.668 local terms energy: -770.413713 where: bonds (distance) C4'-P energy: -139.097 bonds (distance) P-C4' energy: -138.042 flat angles C4'-P-C4' energy: -158.760 flat angles P-C4'-P energy: -106.152 tors. eta vs tors. theta energy: -228.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2630.345146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.345146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.345146 (E_RNA) where: Base-Base interactions energy: -1840.173 where: short stacking energy: -762.467 Base-Backbone interact. energy: 0.520 local terms energy: -790.691843 where: bonds (distance) C4'-P energy: -145.320 bonds (distance) P-C4' energy: -133.323 flat angles C4'-P-C4' energy: -161.615 flat angles P-C4'-P energy: -119.678 tors. eta vs tors. theta energy: -230.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2557.447272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.447272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.447272 (E_RNA) where: Base-Base interactions energy: -1839.740 where: short stacking energy: -750.907 Base-Backbone interact. energy: -0.895 local terms energy: -716.812307 where: bonds (distance) C4'-P energy: -118.259 bonds (distance) P-C4' energy: -117.432 flat angles C4'-P-C4' energy: -149.413 flat angles P-C4'-P energy: -104.930 tors. eta vs tors. theta energy: -226.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2531.082465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.082465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.082465 (E_RNA) where: Base-Base interactions energy: -1786.841 where: short stacking energy: -729.437 Base-Backbone interact. energy: -1.014 local terms energy: -743.227259 where: bonds (distance) C4'-P energy: -119.856 bonds (distance) P-C4' energy: -128.503 flat angles C4'-P-C4' energy: -167.624 flat angles P-C4'-P energy: -102.383 tors. eta vs tors. theta energy: -224.861 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: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2444.410045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.410045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.410045 (E_RNA) where: Base-Base interactions energy: -1743.683 where: short stacking energy: -708.910 Base-Backbone interact. energy: -2.019 local terms energy: -698.708251 where: bonds (distance) C4'-P energy: -114.513 bonds (distance) P-C4' energy: -126.726 flat angles C4'-P-C4' energy: -149.494 flat angles P-C4'-P energy: -88.189 tors. eta vs tors. theta energy: -219.787 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: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2309.587160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.587160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.587160 (E_RNA) where: Base-Base interactions energy: -1647.135 where: short stacking energy: -675.498 Base-Backbone interact. energy: -2.701 local terms energy: -659.751085 where: bonds (distance) C4'-P energy: -106.059 bonds (distance) P-C4' energy: -111.272 flat angles C4'-P-C4' energy: -142.392 flat angles P-C4'-P energy: -93.144 tors. eta vs tors. theta energy: -206.883 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: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2116.788028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.788028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.788028 (E_RNA) where: Base-Base interactions energy: -1519.627 where: short stacking energy: -619.627 Base-Backbone interact. energy: 7.495 local terms energy: -604.656106 where: bonds (distance) C4'-P energy: -97.648 bonds (distance) P-C4' energy: -117.091 flat angles C4'-P-C4' energy: -136.502 flat angles P-C4'-P energy: -80.303 tors. eta vs tors. theta energy: -173.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -2098.274583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.274583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.274583 (E_RNA) where: Base-Base interactions energy: -1502.530 where: short stacking energy: -615.080 Base-Backbone interact. energy: -1.358 local terms energy: -594.386957 where: bonds (distance) C4'-P energy: -94.527 bonds (distance) P-C4' energy: -120.467 flat angles C4'-P-C4' energy: -121.329 flat angles P-C4'-P energy: -67.083 tors. eta vs tors. theta energy: -190.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1498.766609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.766609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.766609 (E_RNA) where: Base-Base interactions energy: -1024.450 where: short stacking energy: -430.995 Base-Backbone interact. energy: 1.844 local terms energy: -476.160381 where: bonds (distance) C4'-P energy: -109.301 bonds (distance) P-C4' energy: -119.223 flat angles C4'-P-C4' energy: -94.875 flat angles P-C4'-P energy: -66.625 tors. eta vs tors. theta energy: -86.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -785.447033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.447033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.447033 (E_RNA) where: Base-Base interactions energy: -447.376 where: short stacking energy: -217.232 Base-Backbone interact. energy: -0.612 local terms energy: -337.458722 where: bonds (distance) C4'-P energy: -80.785 bonds (distance) P-C4' energy: -108.996 flat angles C4'-P-C4' energy: -94.433 flat angles P-C4'-P energy: -54.710 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: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2720.987964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.987964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.987964 (E_RNA) where: Base-Base interactions energy: -1948.612 where: short stacking energy: -782.066 Base-Backbone interact. energy: -2.039 local terms energy: -770.336471 where: bonds (distance) C4'-P energy: -133.163 bonds (distance) P-C4' energy: -134.045 flat angles C4'-P-C4' energy: -165.498 flat angles P-C4'-P energy: -103.451 tors. eta vs tors. theta energy: -234.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2653.272036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.272036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.272036 (E_RNA) where: Base-Base interactions energy: -1880.780 where: short stacking energy: -762.855 Base-Backbone interact. energy: -3.165 local terms energy: -769.326395 where: bonds (distance) C4'-P energy: -126.946 bonds (distance) P-C4' energy: -138.830 flat angles C4'-P-C4' energy: -152.561 flat angles P-C4'-P energy: -116.432 tors. eta vs tors. theta energy: -234.557 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: 3 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2587.693138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.693138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.693138 (E_RNA) where: Base-Base interactions energy: -1845.830 where: short stacking energy: -765.969 Base-Backbone interact. energy: -2.479 local terms energy: -739.384202 where: bonds (distance) C4'-P energy: -125.557 bonds (distance) P-C4' energy: -115.303 flat angles C4'-P-C4' energy: -160.875 flat angles P-C4'-P energy: -105.628 tors. eta vs tors. theta energy: -232.022 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: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2485.376471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.376471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.376471 (E_RNA) where: Base-Base interactions energy: -1773.668 where: short stacking energy: -744.319 Base-Backbone interact. energy: -1.049 local terms energy: -710.659031 where: bonds (distance) C4'-P energy: -120.691 bonds (distance) P-C4' energy: -129.855 flat angles C4'-P-C4' energy: -151.890 flat angles P-C4'-P energy: -88.620 tors. eta vs tors. theta energy: -219.603 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: 10 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2410.721052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.721052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.721052 (E_RNA) where: Base-Base interactions energy: -1726.427 where: short stacking energy: -684.368 Base-Backbone interact. energy: 4.396 local terms energy: -688.690381 where: bonds (distance) C4'-P energy: -118.411 bonds (distance) P-C4' energy: -108.468 flat angles C4'-P-C4' energy: -165.827 flat angles P-C4'-P energy: -90.384 tors. eta vs tors. theta energy: -205.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2321.502812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.502812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.502812 (E_RNA) where: Base-Base interactions energy: -1633.831 where: short stacking energy: -667.810 Base-Backbone interact. energy: 1.206 local terms energy: -688.878010 where: bonds (distance) C4'-P energy: -128.470 bonds (distance) P-C4' energy: -105.058 flat angles C4'-P-C4' energy: -149.289 flat angles P-C4'-P energy: -99.116 tors. eta vs tors. theta energy: -206.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2173.066106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.066106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.066106 (E_RNA) where: Base-Base interactions energy: -1533.574 where: short stacking energy: -623.012 Base-Backbone interact. energy: -4.000 local terms energy: -635.492242 where: bonds (distance) C4'-P energy: -104.531 bonds (distance) P-C4' energy: -117.578 flat angles C4'-P-C4' energy: -136.623 flat angles P-C4'-P energy: -91.912 tors. eta vs tors. theta energy: -184.847 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: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -2134.229465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.229465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.229465 (E_RNA) where: Base-Base interactions energy: -1519.456 where: short stacking energy: -625.268 Base-Backbone interact. energy: -0.699 local terms energy: -614.074411 where: bonds (distance) C4'-P energy: -112.603 bonds (distance) P-C4' energy: -113.409 flat angles C4'-P-C4' energy: -120.944 flat angles P-C4'-P energy: -90.653 tors. eta vs tors. theta energy: -176.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1495.538727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.538727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.538727 (E_RNA) where: Base-Base interactions energy: -980.377 where: short stacking energy: -426.510 Base-Backbone interact. energy: 0.549 local terms energy: -515.710708 where: bonds (distance) C4'-P energy: -106.911 bonds (distance) P-C4' energy: -108.706 flat angles C4'-P-C4' energy: -126.282 flat angles P-C4'-P energy: -71.229 tors. eta vs tors. theta energy: -102.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -790.930100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.930100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.930100 (E_RNA) where: Base-Base interactions energy: -450.751 where: short stacking energy: -225.056 Base-Backbone interact. energy: 0.209 local terms energy: -340.388287 where: bonds (distance) C4'-P energy: -94.257 bonds (distance) P-C4' energy: -115.257 flat angles C4'-P-C4' energy: -87.788 flat angles P-C4'-P energy: -51.006 tors. eta vs tors. theta energy: 7.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2741.323569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.323569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.323569 (E_RNA) where: Base-Base interactions energy: -1957.525 where: short stacking energy: -797.755 Base-Backbone interact. energy: -2.541 local terms energy: -781.256994 where: bonds (distance) C4'-P energy: -138.083 bonds (distance) P-C4' energy: -139.609 flat angles C4'-P-C4' energy: -164.055 flat angles P-C4'-P energy: -102.224 tors. eta vs tors. theta energy: -237.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2635.163750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.163750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.163750 (E_RNA) where: Base-Base interactions energy: -1870.191 where: short stacking energy: -762.991 Base-Backbone interact. energy: -1.318 local terms energy: -763.655015 where: bonds (distance) C4'-P energy: -136.802 bonds (distance) P-C4' energy: -128.256 flat angles C4'-P-C4' energy: -147.422 flat angles P-C4'-P energy: -112.722 tors. eta vs tors. theta energy: -238.453 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: 382 Temperature: 1.000000 Total energy: -2536.650877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.650877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.650877 (E_RNA) where: Base-Base interactions energy: -1784.527 where: short stacking energy: -749.254 Base-Backbone interact. energy: -2.233 local terms energy: -749.890678 where: bonds (distance) C4'-P energy: -129.639 bonds (distance) P-C4' energy: -123.930 flat angles C4'-P-C4' energy: -161.815 flat angles P-C4'-P energy: -98.863 tors. eta vs tors. theta energy: -235.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2523.550391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.550391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.550391 (E_RNA) where: Base-Base interactions energy: -1825.233 where: short stacking energy: -726.774 Base-Backbone interact. energy: -0.832 local terms energy: -697.486167 where: bonds (distance) C4'-P energy: -110.487 bonds (distance) P-C4' energy: -105.656 flat angles C4'-P-C4' energy: -159.612 flat angles P-C4'-P energy: -96.951 tors. eta vs tors. theta energy: -224.780 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: 10 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2472.176064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.176064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.176064 (E_RNA) where: Base-Base interactions energy: -1775.333 where: short stacking energy: -698.815 Base-Backbone interact. energy: 2.869 local terms energy: -699.711894 where: bonds (distance) C4'-P energy: -117.862 bonds (distance) P-C4' energy: -123.090 flat angles C4'-P-C4' energy: -138.193 flat angles P-C4'-P energy: -104.533 tors. eta vs tors. theta energy: -216.035 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: 6, replica: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2338.528353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.528353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.528353 (E_RNA) where: Base-Base interactions energy: -1652.379 where: short stacking energy: -671.001 Base-Backbone interact. energy: -1.177 local terms energy: -684.971710 where: bonds (distance) C4'-P energy: -120.012 bonds (distance) P-C4' energy: -113.518 flat angles C4'-P-C4' energy: -155.460 flat angles P-C4'-P energy: -95.369 tors. eta vs tors. theta energy: -200.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2224.885667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.885667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.885667 (E_RNA) where: Base-Base interactions energy: -1587.563 where: short stacking energy: -661.581 Base-Backbone interact. energy: -1.002 local terms energy: -636.319747 where: bonds (distance) C4'-P energy: -104.703 bonds (distance) P-C4' energy: -110.010 flat angles C4'-P-C4' energy: -133.459 flat angles P-C4'-P energy: -84.859 tors. eta vs tors. theta energy: -203.290 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: 382 Temperature: 1.250000 Total energy: -2040.827303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.827303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.827303 (E_RNA) where: Base-Base interactions energy: -1455.004 where: short stacking energy: -578.718 Base-Backbone interact. energy: 0.144 local terms energy: -585.966699 where: bonds (distance) C4'-P energy: -96.908 bonds (distance) P-C4' energy: -110.215 flat angles C4'-P-C4' energy: -121.771 flat angles P-C4'-P energy: -76.885 tors. eta vs tors. theta energy: -180.186 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: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1462.650154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.650154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.650154 (E_RNA) where: Base-Base interactions energy: -967.737 where: short stacking energy: -412.011 Base-Backbone interact. energy: 1.704 local terms energy: -496.616974 where: bonds (distance) C4'-P energy: -100.747 bonds (distance) P-C4' energy: -114.726 flat angles C4'-P-C4' energy: -115.965 flat angles P-C4'-P energy: -73.716 tors. eta vs tors. theta energy: -91.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -803.787932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.787932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.787932 (E_RNA) where: Base-Base interactions energy: -441.972 where: short stacking energy: -214.012 Base-Backbone interact. energy: -0.099 local terms energy: -361.716751 where: bonds (distance) C4'-P energy: -111.364 bonds (distance) P-C4' energy: -121.058 flat angles C4'-P-C4' energy: -84.105 flat angles P-C4'-P energy: -39.487 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2721.661748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.661748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.661748 (E_RNA) where: Base-Base interactions energy: -1935.386 where: short stacking energy: -762.133 Base-Backbone interact. energy: -0.584 local terms energy: -785.691606 where: bonds (distance) C4'-P energy: -132.730 bonds (distance) P-C4' energy: -140.903 flat angles C4'-P-C4' energy: -163.474 flat angles P-C4'-P energy: -109.123 tors. eta vs tors. theta energy: -239.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2637.880119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.880119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.880119 (E_RNA) where: Base-Base interactions energy: -1852.195 where: short stacking energy: -777.462 Base-Backbone interact. energy: -1.889 local terms energy: -783.796379 where: bonds (distance) C4'-P energy: -123.605 bonds (distance) P-C4' energy: -139.232 flat angles C4'-P-C4' energy: -163.515 flat angles P-C4'-P energy: -112.943 tors. eta vs tors. theta energy: -244.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2539.338479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.338479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.338479 (E_RNA) where: Base-Base interactions energy: -1793.973 where: short stacking energy: -746.022 Base-Backbone interact. energy: -3.695 local terms energy: -741.670629 where: bonds (distance) C4'-P energy: -138.383 bonds (distance) P-C4' energy: -131.253 flat angles C4'-P-C4' energy: -153.693 flat angles P-C4'-P energy: -92.623 tors. eta vs tors. theta energy: -225.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2543.875133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.875133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.875133 (E_RNA) where: Base-Base interactions energy: -1815.662 where: short stacking energy: -737.579 Base-Backbone interact. energy: -0.917 local terms energy: -727.295341 where: bonds (distance) C4'-P energy: -122.641 bonds (distance) P-C4' energy: -125.258 flat angles C4'-P-C4' energy: -149.365 flat angles P-C4'-P energy: -111.892 tors. eta vs tors. theta energy: -218.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2435.511747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.511747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.511747 (E_RNA) where: Base-Base interactions energy: -1756.301 where: short stacking energy: -701.974 Base-Backbone interact. energy: -0.972 local terms energy: -678.238345 where: bonds (distance) C4'-P energy: -114.846 bonds (distance) P-C4' energy: -113.916 flat angles C4'-P-C4' energy: -142.488 flat angles P-C4'-P energy: -92.114 tors. eta vs tors. theta energy: -214.874 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: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2318.683074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.683074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.683074 (E_RNA) where: Base-Base interactions energy: -1630.434 where: short stacking energy: -658.770 Base-Backbone interact. energy: -2.969 local terms energy: -685.280818 where: bonds (distance) C4'-P energy: -112.119 bonds (distance) P-C4' energy: -130.431 flat angles C4'-P-C4' energy: -143.748 flat angles P-C4'-P energy: -101.386 tors. eta vs tors. theta energy: -197.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2226.659679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.659679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.659679 (E_RNA) where: Base-Base interactions energy: -1578.251 where: short stacking energy: -653.010 Base-Backbone interact. energy: -2.080 local terms energy: -646.329421 where: bonds (distance) C4'-P energy: -101.559 bonds (distance) P-C4' energy: -99.358 flat angles C4'-P-C4' energy: -146.299 flat angles P-C4'-P energy: -95.046 tors. eta vs tors. theta energy: -204.068 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: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -2092.432202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.432202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.432202 (E_RNA) where: Base-Base interactions energy: -1472.999 where: short stacking energy: -620.865 Base-Backbone interact. energy: 4.328 local terms energy: -623.761691 where: bonds (distance) C4'-P energy: -102.846 bonds (distance) P-C4' energy: -134.806 flat angles C4'-P-C4' energy: -138.500 flat angles P-C4'-P energy: -81.187 tors. eta vs tors. theta energy: -166.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1447.399920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.399920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.399920 (E_RNA) where: Base-Base interactions energy: -971.721 where: short stacking energy: -411.051 Base-Backbone interact. energy: -1.739 local terms energy: -473.940317 where: bonds (distance) C4'-P energy: -104.428 bonds (distance) P-C4' energy: -120.667 flat angles C4'-P-C4' energy: -110.962 flat angles P-C4'-P energy: -48.498 tors. eta vs tors. theta energy: -89.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -849.397635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.397635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.397635 (E_RNA) where: Base-Base interactions energy: -476.923 where: short stacking energy: -219.938 Base-Backbone interact. energy: -5.175 local terms energy: -367.300077 where: bonds (distance) C4'-P energy: -103.257 bonds (distance) P-C4' energy: -114.865 flat angles C4'-P-C4' energy: -109.009 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: 23.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2711.072491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.072491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.072491 (E_RNA) where: Base-Base interactions energy: -1940.731 where: short stacking energy: -785.281 Base-Backbone interact. energy: -1.950 local terms energy: -768.390904 where: bonds (distance) C4'-P energy: -132.491 bonds (distance) P-C4' energy: -142.390 flat angles C4'-P-C4' energy: -150.828 flat angles P-C4'-P energy: -107.873 tors. eta vs tors. theta energy: -234.809 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: 9 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2631.324172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.324172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.324172 (E_RNA) where: Base-Base interactions energy: -1880.804 where: short stacking energy: -776.654 Base-Backbone interact. energy: -1.508 local terms energy: -749.012163 where: bonds (distance) C4'-P energy: -118.753 bonds (distance) P-C4' energy: -114.244 flat angles C4'-P-C4' energy: -158.055 flat angles P-C4'-P energy: -117.635 tors. eta vs tors. theta energy: -240.325 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: 3, replica: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2602.847352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.847352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.847352 (E_RNA) where: Base-Base interactions energy: -1854.140 where: short stacking energy: -753.784 Base-Backbone interact. energy: -1.650 local terms energy: -747.057192 where: bonds (distance) C4'-P energy: -137.482 bonds (distance) P-C4' energy: -129.534 flat angles C4'-P-C4' energy: -147.091 flat angles P-C4'-P energy: -106.775 tors. eta vs tors. theta energy: -226.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2528.936104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.936104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.936104 (E_RNA) where: Base-Base interactions energy: -1805.918 where: short stacking energy: -747.845 Base-Backbone interact. energy: -1.050 local terms energy: -721.968438 where: bonds (distance) C4'-P energy: -119.814 bonds (distance) P-C4' energy: -115.093 flat angles C4'-P-C4' energy: -158.000 flat angles P-C4'-P energy: -106.140 tors. eta vs tors. theta energy: -222.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2457.434754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.434754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.434754 (E_RNA) where: Base-Base interactions energy: -1758.075 where: short stacking energy: -725.645 Base-Backbone interact. energy: -0.492 local terms energy: -698.868163 where: bonds (distance) C4'-P energy: -120.541 bonds (distance) P-C4' energy: -122.000 flat angles C4'-P-C4' energy: -142.810 flat angles P-C4'-P energy: -86.713 tors. eta vs tors. theta energy: -226.803 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: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2291.334956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.334956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.334956 (E_RNA) where: Base-Base interactions energy: -1624.201 where: short stacking energy: -667.373 Base-Backbone interact. energy: -3.194 local terms energy: -663.939954 where: bonds (distance) C4'-P energy: -121.687 bonds (distance) P-C4' energy: -110.461 flat angles C4'-P-C4' energy: -137.590 flat angles P-C4'-P energy: -94.072 tors. eta vs tors. theta energy: -200.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2189.048899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.048899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.048899 (E_RNA) where: Base-Base interactions energy: -1565.589 where: short stacking energy: -638.027 Base-Backbone interact. energy: -1.127 local terms energy: -622.332948 where: bonds (distance) C4'-P energy: -97.212 bonds (distance) P-C4' energy: -90.854 flat angles C4'-P-C4' energy: -140.327 flat angles P-C4'-P energy: -91.136 tors. eta vs tors. theta energy: -202.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -2031.264490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.264490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.264490 (E_RNA) where: Base-Base interactions energy: -1447.332 where: short stacking energy: -589.188 Base-Backbone interact. energy: -2.373 local terms energy: -581.559924 where: bonds (distance) C4'-P energy: -80.170 bonds (distance) P-C4' energy: -102.432 flat angles C4'-P-C4' energy: -126.807 flat angles P-C4'-P energy: -99.467 tors. eta vs tors. theta energy: -172.684 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: 7 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1568.039879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.039879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.039879 (E_RNA) where: Base-Base interactions energy: -1090.527 where: short stacking energy: -473.653 Base-Backbone interact. energy: 4.985 local terms energy: -482.497948 where: bonds (distance) C4'-P energy: -110.286 bonds (distance) P-C4' energy: -96.960 flat angles C4'-P-C4' energy: -113.033 flat angles P-C4'-P energy: -60.211 tors. eta vs tors. theta energy: -102.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -872.955260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.955260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.955260 (E_RNA) where: Base-Base interactions energy: -515.817 where: short stacking energy: -258.479 Base-Backbone interact. energy: 1.713 local terms energy: -358.850986 where: bonds (distance) C4'-P energy: -88.210 bonds (distance) P-C4' energy: -104.553 flat angles C4'-P-C4' energy: -103.076 flat angles P-C4'-P energy: -41.187 tors. eta vs tors. theta energy: -21.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2728.796552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.796552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.796552 (E_RNA) where: Base-Base interactions energy: -1940.011 where: short stacking energy: -778.860 Base-Backbone interact. energy: -2.125 local terms energy: -786.660200 where: bonds (distance) C4'-P energy: -148.560 bonds (distance) P-C4' energy: -131.989 flat angles C4'-P-C4' energy: -159.111 flat angles P-C4'-P energy: -109.145 tors. eta vs tors. theta energy: -237.856 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: 9 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2671.103062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.103062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.103062 (E_RNA) where: Base-Base interactions energy: -1901.535 where: short stacking energy: -776.034 Base-Backbone interact. energy: -0.134 local terms energy: -769.434037 where: bonds (distance) C4'-P energy: -138.092 bonds (distance) P-C4' energy: -131.399 flat angles C4'-P-C4' energy: -165.277 flat angles P-C4'-P energy: -99.213 tors. eta vs tors. theta energy: -235.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2628.444882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.444882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.444882 (E_RNA) where: Base-Base interactions energy: -1886.486 where: short stacking energy: -777.650 Base-Backbone interact. energy: -4.895 local terms energy: -737.064019 where: bonds (distance) C4'-P energy: -128.428 bonds (distance) P-C4' energy: -112.140 flat angles C4'-P-C4' energy: -154.576 flat angles P-C4'-P energy: -105.146 tors. eta vs tors. theta energy: -236.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2511.450373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.450373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.450373 (E_RNA) where: Base-Base interactions energy: -1794.678 where: short stacking energy: -749.171 Base-Backbone interact. energy: -0.192 local terms energy: -716.580173 where: bonds (distance) C4'-P energy: -118.665 bonds (distance) P-C4' energy: -130.458 flat angles C4'-P-C4' energy: -147.406 flat angles P-C4'-P energy: -91.488 tors. eta vs tors. theta energy: -228.563 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: 5, replica: 10 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2457.936431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.936431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.936431 (E_RNA) where: Base-Base interactions energy: -1764.274 where: short stacking energy: -716.187 Base-Backbone interact. energy: -1.759 local terms energy: -691.903583 where: bonds (distance) C4'-P energy: -110.912 bonds (distance) P-C4' energy: -104.419 flat angles C4'-P-C4' energy: -149.591 flat angles P-C4'-P energy: -106.736 tors. eta vs tors. theta energy: -220.246 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: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2270.138550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.138550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.138550 (E_RNA) where: Base-Base interactions energy: -1621.765 where: short stacking energy: -653.023 Base-Backbone interact. energy: -3.581 local terms energy: -644.792147 where: bonds (distance) C4'-P energy: -104.336 bonds (distance) P-C4' energy: -110.337 flat angles C4'-P-C4' energy: -136.461 flat angles P-C4'-P energy: -101.834 tors. eta vs tors. theta energy: -191.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2274.304397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.304397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.304397 (E_RNA) where: Base-Base interactions energy: -1639.802 where: short stacking energy: -665.209 Base-Backbone interact. energy: 0.348 local terms energy: -634.850135 where: bonds (distance) C4'-P energy: -100.980 bonds (distance) P-C4' energy: -113.217 flat angles C4'-P-C4' energy: -125.395 flat angles P-C4'-P energy: -82.231 tors. eta vs tors. theta energy: -213.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -2003.158412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.158412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.158412 (E_RNA) where: Base-Base interactions energy: -1399.609 where: short stacking energy: -597.840 Base-Backbone interact. energy: -0.862 local terms energy: -602.686842 where: bonds (distance) C4'-P energy: -97.667 bonds (distance) P-C4' energy: -105.872 flat angles C4'-P-C4' energy: -131.656 flat angles P-C4'-P energy: -88.584 tors. eta vs tors. theta energy: -178.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1574.054726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.054726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.054726 (E_RNA) where: Base-Base interactions energy: -1088.685 where: short stacking energy: -453.762 Base-Backbone interact. energy: 3.142 local terms energy: -488.512464 where: bonds (distance) C4'-P energy: -78.143 bonds (distance) P-C4' energy: -117.016 flat angles C4'-P-C4' energy: -112.795 flat angles P-C4'-P energy: -79.052 tors. eta vs tors. theta energy: -101.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -909.688776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.688776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.688776 (E_RNA) where: Base-Base interactions energy: -506.437 where: short stacking energy: -235.456 Base-Backbone interact. energy: 3.301 local terms energy: -406.552307 where: bonds (distance) C4'-P energy: -102.482 bonds (distance) P-C4' energy: -113.333 flat angles C4'-P-C4' energy: -121.657 flat angles P-C4'-P energy: -59.019 tors. eta vs tors. theta energy: -10.061 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: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2702.561029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.561029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.561029 (E_RNA) where: Base-Base interactions energy: -1934.473 where: short stacking energy: -762.478 Base-Backbone interact. energy: 0.271 local terms energy: -768.359480 where: bonds (distance) C4'-P energy: -125.256 bonds (distance) P-C4' energy: -143.161 flat angles C4'-P-C4' energy: -153.563 flat angles P-C4'-P energy: -111.552 tors. eta vs tors. theta energy: -234.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2649.083717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.083717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.083717 (E_RNA) where: Base-Base interactions energy: -1903.814 where: short stacking energy: -778.497 Base-Backbone interact. energy: -0.075 local terms energy: -745.194886 where: bonds (distance) C4'-P energy: -123.192 bonds (distance) P-C4' energy: -120.706 flat angles C4'-P-C4' energy: -148.610 flat angles P-C4'-P energy: -110.329 tors. eta vs tors. theta energy: -242.358 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: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2607.600714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.600714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.600714 (E_RNA) where: Base-Base interactions energy: -1871.744 where: short stacking energy: -750.926 Base-Backbone interact. energy: -3.056 local terms energy: -732.800769 where: bonds (distance) C4'-P energy: -130.502 bonds (distance) P-C4' energy: -125.744 flat angles C4'-P-C4' energy: -156.255 flat angles P-C4'-P energy: -89.752 tors. eta vs tors. theta energy: -230.548 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: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2502.007921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.007921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.007921 (E_RNA) where: Base-Base interactions energy: -1776.580 where: short stacking energy: -732.290 Base-Backbone interact. energy: 0.268 local terms energy: -725.695939 where: bonds (distance) C4'-P energy: -139.237 bonds (distance) P-C4' energy: -129.677 flat angles C4'-P-C4' energy: -141.472 flat angles P-C4'-P energy: -88.645 tors. eta vs tors. theta energy: -226.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2457.093564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.093564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.093564 (E_RNA) where: Base-Base interactions energy: -1732.069 where: short stacking energy: -693.370 Base-Backbone interact. energy: -1.135 local terms energy: -723.889792 where: bonds (distance) C4'-P energy: -129.180 bonds (distance) P-C4' energy: -128.365 flat angles C4'-P-C4' energy: -140.017 flat angles P-C4'-P energy: -99.738 tors. eta vs tors. theta energy: -226.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2289.669245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.669245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.669245 (E_RNA) where: Base-Base interactions energy: -1632.091 where: short stacking energy: -649.304 Base-Backbone interact. energy: -3.436 local terms energy: -654.142073 where: bonds (distance) C4'-P energy: -101.228 bonds (distance) P-C4' energy: -126.983 flat angles C4'-P-C4' energy: -138.127 flat angles P-C4'-P energy: -98.994 tors. eta vs tors. theta energy: -188.810 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: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2107.618297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.618297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.618297 (E_RNA) where: Base-Base interactions energy: -1505.852 where: short stacking energy: -629.733 Base-Backbone interact. energy: -2.855 local terms energy: -598.910885 where: bonds (distance) C4'-P energy: -104.507 bonds (distance) P-C4' energy: -104.982 flat angles C4'-P-C4' energy: -131.725 flat angles P-C4'-P energy: -87.771 tors. eta vs tors. theta energy: -169.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -2177.921471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.921471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.921471 (E_RNA) where: Base-Base interactions energy: -1522.273 where: short stacking energy: -619.968 Base-Backbone interact. energy: -1.833 local terms energy: -653.815315 where: bonds (distance) C4'-P energy: -103.971 bonds (distance) P-C4' energy: -110.071 flat angles C4'-P-C4' energy: -142.205 flat angles P-C4'-P energy: -105.402 tors. eta vs tors. theta energy: -192.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1596.617068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.617068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.617068 (E_RNA) where: Base-Base interactions energy: -1098.880 where: short stacking energy: -454.307 Base-Backbone interact. energy: -3.643 local terms energy: -494.093674 where: bonds (distance) C4'-P energy: -96.890 bonds (distance) P-C4' energy: -112.181 flat angles C4'-P-C4' energy: -113.112 flat angles P-C4'-P energy: -78.597 tors. eta vs tors. theta energy: -93.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -842.670896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.670896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.670896 (E_RNA) where: Base-Base interactions energy: -475.904 where: short stacking energy: -226.092 Base-Backbone interact. energy: 0.849 local terms energy: -367.615647 where: bonds (distance) C4'-P energy: -99.467 bonds (distance) P-C4' energy: -112.344 flat angles C4'-P-C4' energy: -87.899 flat angles P-C4'-P energy: -61.984 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2723.742576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.742576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.742576 (E_RNA) where: Base-Base interactions energy: -1920.921 where: short stacking energy: -759.677 Base-Backbone interact. energy: -1.910 local terms energy: -800.911110 where: bonds (distance) C4'-P energy: -145.333 bonds (distance) P-C4' energy: -145.166 flat angles C4'-P-C4' energy: -156.253 flat angles P-C4'-P energy: -115.391 tors. eta vs tors. theta energy: -238.768 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: 9 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2654.640817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.640817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.640817 (E_RNA) where: Base-Base interactions energy: -1883.087 where: short stacking energy: -773.684 Base-Backbone interact. energy: -1.614 local terms energy: -769.940067 where: bonds (distance) C4'-P energy: -144.254 bonds (distance) P-C4' energy: -115.872 flat angles C4'-P-C4' energy: -154.234 flat angles P-C4'-P energy: -115.365 tors. eta vs tors. theta energy: -240.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2582.542847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.542847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.542847 (E_RNA) where: Base-Base interactions energy: -1854.145 where: short stacking energy: -750.786 Base-Backbone interact. energy: 1.121 local terms energy: -729.519246 where: bonds (distance) C4'-P energy: -121.346 bonds (distance) P-C4' energy: -124.740 flat angles C4'-P-C4' energy: -153.881 flat angles P-C4'-P energy: -100.166 tors. eta vs tors. theta energy: -229.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2476.383182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.383182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.383182 (E_RNA) where: Base-Base interactions energy: -1793.969 where: short stacking energy: -725.491 Base-Backbone interact. energy: -3.149 local terms energy: -679.265106 where: bonds (distance) C4'-P energy: -99.484 bonds (distance) P-C4' energy: -126.645 flat angles C4'-P-C4' energy: -150.426 flat angles P-C4'-P energy: -84.466 tors. eta vs tors. theta energy: -218.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2458.897910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.897910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.897910 (E_RNA) where: Base-Base interactions energy: -1752.084 where: short stacking energy: -728.004 Base-Backbone interact. energy: -1.186 local terms energy: -705.627890 where: bonds (distance) C4'-P energy: -123.169 bonds (distance) P-C4' energy: -125.590 flat angles C4'-P-C4' energy: -146.787 flat angles P-C4'-P energy: -87.339 tors. eta vs tors. theta energy: -222.744 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: 4 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2312.872589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.872589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.872589 (E_RNA) where: Base-Base interactions energy: -1675.175 where: short stacking energy: -652.266 Base-Backbone interact. energy: -3.862 local terms energy: -633.835564 where: bonds (distance) C4'-P energy: -102.987 bonds (distance) P-C4' energy: -109.176 flat angles C4'-P-C4' energy: -142.387 flat angles P-C4'-P energy: -85.873 tors. eta vs tors. theta energy: -193.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2117.325092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.325092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.325092 (E_RNA) where: Base-Base interactions energy: -1516.379 where: short stacking energy: -629.908 Base-Backbone interact. energy: -0.311 local terms energy: -600.635551 where: bonds (distance) C4'-P energy: -104.413 bonds (distance) P-C4' energy: -110.643 flat angles C4'-P-C4' energy: -118.908 flat angles P-C4'-P energy: -79.146 tors. eta vs tors. theta energy: -187.527 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: 8, replica: 2 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -2098.841851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.841851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.841851 (E_RNA) where: Base-Base interactions energy: -1482.406 where: short stacking energy: -595.563 Base-Backbone interact. energy: -0.519 local terms energy: -615.916007 where: bonds (distance) C4'-P energy: -111.215 bonds (distance) P-C4' energy: -114.258 flat angles C4'-P-C4' energy: -130.033 flat angles P-C4'-P energy: -91.506 tors. eta vs tors. theta energy: -168.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1560.994781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.994781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.994781 (E_RNA) where: Base-Base interactions energy: -1088.784 where: short stacking energy: -457.018 Base-Backbone interact. energy: -1.433 local terms energy: -470.778368 where: bonds (distance) C4'-P energy: -101.413 bonds (distance) P-C4' energy: -94.134 flat angles C4'-P-C4' energy: -93.198 flat angles P-C4'-P energy: -84.437 tors. eta vs tors. theta energy: -97.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -850.100971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.100971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.100971 (E_RNA) where: Base-Base interactions energy: -477.562 where: short stacking energy: -234.388 Base-Backbone interact. energy: -0.641 local terms energy: -371.897589 where: bonds (distance) C4'-P energy: -107.352 bonds (distance) P-C4' energy: -120.549 flat angles C4'-P-C4' energy: -68.388 flat angles P-C4'-P energy: -66.419 tors. eta vs tors. theta energy: -9.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2715.696584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.696584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.696584 (E_RNA) where: Base-Base interactions energy: -1942.849 where: short stacking energy: -782.446 Base-Backbone interact. energy: -1.058 local terms energy: -771.789209 where: bonds (distance) C4'-P energy: -127.583 bonds (distance) P-C4' energy: -130.959 flat angles C4'-P-C4' energy: -162.513 flat angles P-C4'-P energy: -116.279 tors. eta vs tors. theta energy: -234.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2642.276446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.276446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.276446 (E_RNA) where: Base-Base interactions energy: -1876.774 where: short stacking energy: -764.790 Base-Backbone interact. energy: -0.870 local terms energy: -764.632638 where: bonds (distance) C4'-P energy: -126.171 bonds (distance) P-C4' energy: -130.017 flat angles C4'-P-C4' energy: -159.782 flat angles P-C4'-P energy: -107.498 tors. eta vs tors. theta energy: -241.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2567.375766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.375766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.375766 (E_RNA) where: Base-Base interactions energy: -1819.075 where: short stacking energy: -728.636 Base-Backbone interact. energy: -0.346 local terms energy: -747.955411 where: bonds (distance) C4'-P energy: -126.081 bonds (distance) P-C4' energy: -125.069 flat angles C4'-P-C4' energy: -158.365 flat angles P-C4'-P energy: -117.411 tors. eta vs tors. theta energy: -221.030 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: 1 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2491.858834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.858834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.858834 (E_RNA) where: Base-Base interactions energy: -1775.207 where: short stacking energy: -725.104 Base-Backbone interact. energy: -3.398 local terms energy: -713.254384 where: bonds (distance) C4'-P energy: -116.447 bonds (distance) P-C4' energy: -125.976 flat angles C4'-P-C4' energy: -149.798 flat angles P-C4'-P energy: -100.028 tors. eta vs tors. theta energy: -221.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2354.932648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.932648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.932648 (E_RNA) where: Base-Base interactions energy: -1698.889 where: short stacking energy: -671.238 Base-Backbone interact. energy: -1.654 local terms energy: -654.389451 where: bonds (distance) C4'-P energy: -125.596 bonds (distance) P-C4' energy: -118.724 flat angles C4'-P-C4' energy: -141.260 flat angles P-C4'-P energy: -85.002 tors. eta vs tors. theta energy: -183.809 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: 10 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2395.906018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.906018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.906018 (E_RNA) where: Base-Base interactions energy: -1709.023 where: short stacking energy: -700.594 Base-Backbone interact. energy: 0.797 local terms energy: -687.680539 where: bonds (distance) C4'-P energy: -131.265 bonds (distance) P-C4' energy: -118.142 flat angles C4'-P-C4' energy: -131.924 flat angles P-C4'-P energy: -85.181 tors. eta vs tors. theta energy: -221.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2118.279271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.279271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.279271 (E_RNA) where: Base-Base interactions energy: -1482.569 where: short stacking energy: -615.081 Base-Backbone interact. energy: -1.747 local terms energy: -633.963478 where: bonds (distance) C4'-P energy: -107.172 bonds (distance) P-C4' energy: -103.694 flat angles C4'-P-C4' energy: -145.510 flat angles P-C4'-P energy: -88.814 tors. eta vs tors. theta energy: -188.772 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: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -2052.223890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.223890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.223890 (E_RNA) where: Base-Base interactions energy: -1450.604 where: short stacking energy: -602.129 Base-Backbone interact. energy: -1.332 local terms energy: -600.287620 where: bonds (distance) C4'-P energy: -94.986 bonds (distance) P-C4' energy: -102.312 flat angles C4'-P-C4' energy: -139.071 flat angles P-C4'-P energy: -83.672 tors. eta vs tors. theta energy: -180.247 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: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1540.221597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.221597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.221597 (E_RNA) where: Base-Base interactions energy: -996.101 where: short stacking energy: -423.709 Base-Backbone interact. energy: 1.366 local terms energy: -545.487201 where: bonds (distance) C4'-P energy: -113.183 bonds (distance) P-C4' energy: -118.775 flat angles C4'-P-C4' energy: -123.226 flat angles P-C4'-P energy: -80.736 tors. eta vs tors. theta energy: -109.567 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: 10, replica: 6 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -861.030572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.030572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.030572 (E_RNA) where: Base-Base interactions energy: -500.254 where: short stacking energy: -246.905 Base-Backbone interact. energy: -1.270 local terms energy: -359.506532 where: bonds (distance) C4'-P energy: -99.577 bonds (distance) P-C4' energy: -113.361 flat angles C4'-P-C4' energy: -68.207 flat angles P-C4'-P energy: -61.259 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: 1, replica: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2705.420569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.420569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.420569 (E_RNA) where: Base-Base interactions energy: -1928.040 where: short stacking energy: -770.002 Base-Backbone interact. energy: 2.723 local terms energy: -780.103464 where: bonds (distance) C4'-P energy: -132.152 bonds (distance) P-C4' energy: -145.760 flat angles C4'-P-C4' energy: -158.261 flat angles P-C4'-P energy: -110.612 tors. eta vs tors. theta energy: -233.317 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: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2640.554602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.554602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.554602 (E_RNA) where: Base-Base interactions energy: -1856.740 where: short stacking energy: -780.168 Base-Backbone interact. energy: -1.413 local terms energy: -782.402062 where: bonds (distance) C4'-P energy: -121.104 bonds (distance) P-C4' energy: -143.608 flat angles C4'-P-C4' energy: -157.888 flat angles P-C4'-P energy: -104.668 tors. eta vs tors. theta energy: -255.134 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: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2618.833785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.833785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.833785 (E_RNA) where: Base-Base interactions energy: -1888.114 where: short stacking energy: -759.120 Base-Backbone interact. energy: -3.022 local terms energy: -727.697615 where: bonds (distance) C4'-P energy: -127.433 bonds (distance) P-C4' energy: -116.266 flat angles C4'-P-C4' energy: -164.070 flat angles P-C4'-P energy: -90.580 tors. eta vs tors. theta energy: -229.348 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: 1 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2494.653587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.653587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.653587 (E_RNA) where: Base-Base interactions energy: -1795.336 where: short stacking energy: -734.060 Base-Backbone interact. energy: -0.581 local terms energy: -698.736082 where: bonds (distance) C4'-P energy: -109.297 bonds (distance) P-C4' energy: -110.304 flat angles C4'-P-C4' energy: -148.325 flat angles P-C4'-P energy: -100.161 tors. eta vs tors. theta energy: -230.648 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: 5, replica: 4 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2373.552378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.552378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.552378 (E_RNA) where: Base-Base interactions energy: -1696.486 where: short stacking energy: -691.374 Base-Backbone interact. energy: -1.332 local terms energy: -675.734434 where: bonds (distance) C4'-P energy: -110.817 bonds (distance) P-C4' energy: -126.198 flat angles C4'-P-C4' energy: -142.753 flat angles P-C4'-P energy: -92.552 tors. eta vs tors. theta energy: -203.413 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: 10 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2398.447085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.447085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.447085 (E_RNA) where: Base-Base interactions energy: -1716.868 where: short stacking energy: -683.324 Base-Backbone interact. energy: 1.692 local terms energy: -683.271361 where: bonds (distance) C4'-P energy: -109.755 bonds (distance) P-C4' energy: -113.273 flat angles C4'-P-C4' energy: -143.151 flat angles P-C4'-P energy: -100.619 tors. eta vs tors. theta energy: -216.473 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: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2128.968355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.968355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.968355 (E_RNA) where: Base-Base interactions energy: -1500.279 where: short stacking energy: -608.433 Base-Backbone interact. energy: -0.395 local terms energy: -628.294567 where: bonds (distance) C4'-P energy: -102.943 bonds (distance) P-C4' energy: -117.080 flat angles C4'-P-C4' energy: -133.470 flat angles P-C4'-P energy: -89.701 tors. eta vs tors. theta energy: -185.101 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: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -2039.082398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.082398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.082398 (E_RNA) where: Base-Base interactions energy: -1436.220 where: short stacking energy: -596.440 Base-Backbone interact. energy: 0.285 local terms energy: -603.148162 where: bonds (distance) C4'-P energy: -117.878 bonds (distance) P-C4' energy: -98.112 flat angles C4'-P-C4' energy: -117.157 flat angles P-C4'-P energy: -92.304 tors. eta vs tors. theta energy: -177.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1549.625159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.625159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.625159 (E_RNA) where: Base-Base interactions energy: -1052.763 where: short stacking energy: -424.562 Base-Backbone interact. energy: -0.896 local terms energy: -495.965668 where: bonds (distance) C4'-P energy: -105.477 bonds (distance) P-C4' energy: -113.841 flat angles C4'-P-C4' energy: -99.865 flat angles P-C4'-P energy: -83.408 tors. eta vs tors. theta energy: -93.375 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: 6 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -970.958353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.958353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.958353 (E_RNA) where: Base-Base interactions energy: -587.536 where: short stacking energy: -287.236 Base-Backbone interact. energy: 9.125 local terms energy: -392.547180 where: bonds (distance) C4'-P energy: -88.571 bonds (distance) P-C4' energy: -125.166 flat angles C4'-P-C4' energy: -97.876 flat angles P-C4'-P energy: -59.666 tors. eta vs tors. theta energy: -21.269 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: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2747.337008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.337008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.337008 (E_RNA) where: Base-Base interactions energy: -1984.382 where: short stacking energy: -800.422 Base-Backbone interact. energy: -1.520 local terms energy: -761.435196 where: bonds (distance) C4'-P energy: -123.672 bonds (distance) P-C4' energy: -126.347 flat angles C4'-P-C4' energy: -163.475 flat angles P-C4'-P energy: -107.599 tors. eta vs tors. theta energy: -240.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2647.588306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.588306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.588306 (E_RNA) where: Base-Base interactions energy: -1869.694 where: short stacking energy: -778.664 Base-Backbone interact. energy: -1.581 local terms energy: -776.313831 where: bonds (distance) C4'-P energy: -131.198 bonds (distance) P-C4' energy: -136.142 flat angles C4'-P-C4' energy: -153.636 flat angles P-C4'-P energy: -113.179 tors. eta vs tors. theta energy: -242.159 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: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2593.638098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.638098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.638098 (E_RNA) where: Base-Base interactions energy: -1856.009 where: short stacking energy: -765.241 Base-Backbone interact. energy: -2.137 local terms energy: -735.492118 where: bonds (distance) C4'-P energy: -129.002 bonds (distance) P-C4' energy: -135.248 flat angles C4'-P-C4' energy: -144.993 flat angles P-C4'-P energy: -100.371 tors. eta vs tors. theta energy: -225.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2479.697457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.697457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.697457 (E_RNA) where: Base-Base interactions energy: -1765.913 where: short stacking energy: -727.165 Base-Backbone interact. energy: -0.947 local terms energy: -712.837409 where: bonds (distance) C4'-P energy: -114.001 bonds (distance) P-C4' energy: -130.941 flat angles C4'-P-C4' energy: -148.497 flat angles P-C4'-P energy: -96.833 tors. eta vs tors. theta energy: -222.565 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: 4 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2357.413068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.413068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.413068 (E_RNA) where: Base-Base interactions energy: -1692.787 where: short stacking energy: -710.535 Base-Backbone interact. energy: -2.194 local terms energy: -662.432041 where: bonds (distance) C4'-P energy: -111.280 bonds (distance) P-C4' energy: -107.062 flat angles C4'-P-C4' energy: -147.445 flat angles P-C4'-P energy: -93.182 tors. eta vs tors. theta energy: -203.463 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: 10 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2372.015876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.015876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.015876 (E_RNA) where: Base-Base interactions energy: -1686.090 where: short stacking energy: -690.539 Base-Backbone interact. energy: -1.691 local terms energy: -684.234880 where: bonds (distance) C4'-P energy: -121.252 bonds (distance) P-C4' energy: -118.574 flat angles C4'-P-C4' energy: -139.109 flat angles P-C4'-P energy: -94.948 tors. eta vs tors. theta energy: -210.353 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: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2086.427770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.427770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.427770 (E_RNA) where: Base-Base interactions energy: -1455.348 where: short stacking energy: -610.738 Base-Backbone interact. energy: 2.396 local terms energy: -633.475749 where: bonds (distance) C4'-P energy: -108.801 bonds (distance) P-C4' energy: -108.731 flat angles C4'-P-C4' energy: -145.739 flat angles P-C4'-P energy: -88.240 tors. eta vs tors. theta energy: -181.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -2073.159880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.159880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.159880 (E_RNA) where: Base-Base interactions energy: -1469.168 where: short stacking energy: -608.600 Base-Backbone interact. energy: -0.460 local terms energy: -603.531755 where: bonds (distance) C4'-P energy: -106.894 bonds (distance) P-C4' energy: -102.453 flat angles C4'-P-C4' energy: -129.319 flat angles P-C4'-P energy: -78.257 tors. eta vs tors. theta energy: -186.609 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: 390 Temperature: 1.300000 Total energy: -1543.695258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.695258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.695258 (E_RNA) where: Base-Base interactions energy: -1046.589 where: short stacking energy: -428.673 Base-Backbone interact. energy: 3.649 local terms energy: -500.754631 where: bonds (distance) C4'-P energy: -84.701 bonds (distance) P-C4' energy: -119.760 flat angles C4'-P-C4' energy: -120.847 flat angles P-C4'-P energy: -70.244 tors. eta vs tors. theta energy: -105.204 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: 6 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -925.013012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.013012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.013012 (E_RNA) where: Base-Base interactions energy: -502.463 where: short stacking energy: -244.375 Base-Backbone interact. energy: 0.214 local terms energy: -422.763899 where: bonds (distance) C4'-P energy: -110.384 bonds (distance) P-C4' energy: -116.089 flat angles C4'-P-C4' energy: -112.729 flat angles P-C4'-P energy: -64.569 tors. eta vs tors. theta energy: -18.992 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: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2720.779191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.779191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.779191 (E_RNA) where: Base-Base interactions energy: -1955.122 where: short stacking energy: -789.427 Base-Backbone interact. energy: -4.247 local terms energy: -761.409732 where: bonds (distance) C4'-P energy: -135.506 bonds (distance) P-C4' energy: -124.573 flat angles C4'-P-C4' energy: -161.376 flat angles P-C4'-P energy: -101.520 tors. eta vs tors. theta energy: -238.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2642.282910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.282910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.282910 (E_RNA) where: Base-Base interactions energy: -1894.084 where: short stacking energy: -759.479 Base-Backbone interact. energy: -1.052 local terms energy: -747.147162 where: bonds (distance) C4'-P energy: -126.520 bonds (distance) P-C4' energy: -118.986 flat angles C4'-P-C4' energy: -153.570 flat angles P-C4'-P energy: -107.502 tors. eta vs tors. theta energy: -240.569 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: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2593.596221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.596221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.596221 (E_RNA) where: Base-Base interactions energy: -1870.242 where: short stacking energy: -743.777 Base-Backbone interact. energy: -2.070 local terms energy: -721.284994 where: bonds (distance) C4'-P energy: -121.971 bonds (distance) P-C4' energy: -126.105 flat angles C4'-P-C4' energy: -152.769 flat angles P-C4'-P energy: -100.888 tors. eta vs tors. theta energy: -219.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2497.706643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.706643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.706643 (E_RNA) where: Base-Base interactions energy: -1776.474 where: short stacking energy: -707.340 Base-Backbone interact. energy: -1.303 local terms energy: -719.929280 where: bonds (distance) C4'-P energy: -120.752 bonds (distance) P-C4' energy: -136.951 flat angles C4'-P-C4' energy: -146.591 flat angles P-C4'-P energy: -95.266 tors. eta vs tors. theta energy: -220.369 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: 4 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2336.829596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.829596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.829596 (E_RNA) where: Base-Base interactions energy: -1653.733 where: short stacking energy: -645.931 Base-Backbone interact. energy: -4.327 local terms energy: -678.769367 where: bonds (distance) C4'-P energy: -123.846 bonds (distance) P-C4' energy: -121.877 flat angles C4'-P-C4' energy: -151.224 flat angles P-C4'-P energy: -93.514 tors. eta vs tors. theta energy: -188.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2355.323985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.323985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.323985 (E_RNA) where: Base-Base interactions energy: -1691.012 where: short stacking energy: -690.907 Base-Backbone interact. energy: 2.189 local terms energy: -666.501240 where: bonds (distance) C4'-P energy: -97.566 bonds (distance) P-C4' energy: -120.976 flat angles C4'-P-C4' energy: -139.193 flat angles P-C4'-P energy: -99.809 tors. eta vs tors. theta energy: -208.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2115.917112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.917112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.917112 (E_RNA) where: Base-Base interactions energy: -1499.238 where: short stacking energy: -605.310 Base-Backbone interact. energy: -0.677 local terms energy: -616.001864 where: bonds (distance) C4'-P energy: -103.288 bonds (distance) P-C4' energy: -97.536 flat angles C4'-P-C4' energy: -133.931 flat angles P-C4'-P energy: -87.294 tors. eta vs tors. theta energy: -193.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -2046.315179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.315179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.315179 (E_RNA) where: Base-Base interactions energy: -1434.047 where: short stacking energy: -611.780 Base-Backbone interact. energy: -2.053 local terms energy: -610.214728 where: bonds (distance) C4'-P energy: -107.751 bonds (distance) P-C4' energy: -99.542 flat angles C4'-P-C4' energy: -137.145 flat angles P-C4'-P energy: -83.656 tors. eta vs tors. theta energy: -182.120 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: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1544.453768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.453768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.453768 (E_RNA) where: Base-Base interactions energy: -1017.218 where: short stacking energy: -427.102 Base-Backbone interact. energy: 1.411 local terms energy: -528.646203 where: bonds (distance) C4'-P energy: -123.380 bonds (distance) P-C4' energy: -121.198 flat angles C4'-P-C4' energy: -107.005 flat angles P-C4'-P energy: -76.265 tors. eta vs tors. theta energy: -100.799 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: 6 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -883.437658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.437658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.437658 (E_RNA) where: Base-Base interactions energy: -511.655 where: short stacking energy: -237.504 Base-Backbone interact. energy: -0.715 local terms energy: -371.068069 where: bonds (distance) C4'-P energy: -95.095 bonds (distance) P-C4' energy: -117.330 flat angles C4'-P-C4' energy: -90.711 flat angles P-C4'-P energy: -54.048 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: 1, replica: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2740.160188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.160188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.160188 (E_RNA) where: Base-Base interactions energy: -1964.959 where: short stacking energy: -794.311 Base-Backbone interact. energy: -3.794 local terms energy: -771.406543 where: bonds (distance) C4'-P energy: -131.628 bonds (distance) P-C4' energy: -122.610 flat angles C4'-P-C4' energy: -163.961 flat angles P-C4'-P energy: -108.059 tors. eta vs tors. theta energy: -245.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2664.883781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.883781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.883781 (E_RNA) where: Base-Base interactions energy: -1893.334 where: short stacking energy: -769.712 Base-Backbone interact. energy: -0.187 local terms energy: -771.363048 where: bonds (distance) C4'-P energy: -128.827 bonds (distance) P-C4' energy: -135.082 flat angles C4'-P-C4' energy: -162.121 flat angles P-C4'-P energy: -109.083 tors. eta vs tors. theta energy: -236.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2614.677801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.677801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.677801 (E_RNA) where: Base-Base interactions energy: -1856.868 where: short stacking energy: -746.949 Base-Backbone interact. energy: -2.833 local terms energy: -754.976730 where: bonds (distance) C4'-P energy: -124.367 bonds (distance) P-C4' energy: -127.515 flat angles C4'-P-C4' energy: -160.294 flat angles P-C4'-P energy: -115.973 tors. eta vs tors. theta energy: -226.827 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: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2502.288969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.288969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.288969 (E_RNA) where: Base-Base interactions energy: -1767.747 where: short stacking energy: -715.049 Base-Backbone interact. energy: -3.058 local terms energy: -731.484321 where: bonds (distance) C4'-P energy: -127.111 bonds (distance) P-C4' energy: -137.627 flat angles C4'-P-C4' energy: -143.757 flat angles P-C4'-P energy: -97.152 tors. eta vs tors. theta energy: -225.837 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: 4 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2351.688380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.688380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.688380 (E_RNA) where: Base-Base interactions energy: -1667.033 where: short stacking energy: -669.737 Base-Backbone interact. energy: -1.972 local terms energy: -682.683711 where: bonds (distance) C4'-P energy: -125.308 bonds (distance) P-C4' energy: -120.948 flat angles C4'-P-C4' energy: -142.877 flat angles P-C4'-P energy: -93.657 tors. eta vs tors. theta energy: -199.894 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: 392 Temperature: 1.150000 Total energy: -2383.122826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.122826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.122826 (E_RNA) where: Base-Base interactions energy: -1730.122 where: short stacking energy: -679.704 Base-Backbone interact. energy: -2.922 local terms energy: -650.079242 where: bonds (distance) C4'-P energy: -98.964 bonds (distance) P-C4' energy: -103.498 flat angles C4'-P-C4' energy: -140.553 flat angles P-C4'-P energy: -99.462 tors. eta vs tors. theta energy: -207.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2102.889189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.889189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.889189 (E_RNA) where: Base-Base interactions energy: -1516.326 where: short stacking energy: -614.516 Base-Backbone interact. energy: -0.205 local terms energy: -586.358279 where: bonds (distance) C4'-P energy: -81.587 bonds (distance) P-C4' energy: -112.711 flat angles C4'-P-C4' energy: -130.652 flat angles P-C4'-P energy: -81.061 tors. eta vs tors. theta energy: -180.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -2047.701759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.701759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.701759 (E_RNA) where: Base-Base interactions energy: -1442.311 where: short stacking energy: -588.483 Base-Backbone interact. energy: -0.376 local terms energy: -605.014493 where: bonds (distance) C4'-P energy: -117.104 bonds (distance) P-C4' energy: -96.078 flat angles C4'-P-C4' energy: -137.886 flat angles P-C4'-P energy: -85.450 tors. eta vs tors. theta energy: -168.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1578.793217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.793217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.793217 (E_RNA) where: Base-Base interactions energy: -1041.786 where: short stacking energy: -431.735 Base-Backbone interact. energy: -0.503 local terms energy: -536.504857 where: bonds (distance) C4'-P energy: -106.668 bonds (distance) P-C4' energy: -113.184 flat angles C4'-P-C4' energy: -106.638 flat angles P-C4'-P energy: -93.536 tors. eta vs tors. theta energy: -116.479 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: 6 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -884.712525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.712525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.712525 (E_RNA) where: Base-Base interactions energy: -509.389 where: short stacking energy: -246.796 Base-Backbone interact. energy: -1.631 local terms energy: -373.692353 where: bonds (distance) C4'-P energy: -98.197 bonds (distance) P-C4' energy: -108.680 flat angles C4'-P-C4' energy: -100.131 flat angles P-C4'-P energy: -54.644 tors. eta vs tors. theta energy: -12.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2733.431470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.431470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.431470 (E_RNA) where: Base-Base interactions energy: -1956.181 where: short stacking energy: -801.590 Base-Backbone interact. energy: -1.519 local terms energy: -775.730775 where: bonds (distance) C4'-P energy: -121.195 bonds (distance) P-C4' energy: -138.626 flat angles C4'-P-C4' energy: -165.643 flat angles P-C4'-P energy: -109.673 tors. eta vs tors. theta energy: -240.593 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: 2, replica: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2652.123491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.123491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.123491 (E_RNA) where: Base-Base interactions energy: -1877.014 where: short stacking energy: -745.776 Base-Backbone interact. energy: -2.852 local terms energy: -772.256687 where: bonds (distance) C4'-P energy: -126.220 bonds (distance) P-C4' energy: -150.679 flat angles C4'-P-C4' energy: -161.348 flat angles P-C4'-P energy: -110.160 tors. eta vs tors. theta energy: -223.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2608.875420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.875420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.875420 (E_RNA) where: Base-Base interactions energy: -1869.966 where: short stacking energy: -774.888 Base-Backbone interact. energy: -1.259 local terms energy: -737.650898 where: bonds (distance) C4'-P energy: -124.294 bonds (distance) P-C4' energy: -123.281 flat angles C4'-P-C4' energy: -149.586 flat angles P-C4'-P energy: -104.692 tors. eta vs tors. theta energy: -235.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2497.994779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.994779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.994779 (E_RNA) where: Base-Base interactions energy: -1760.586 where: short stacking energy: -715.151 Base-Backbone interact. energy: -0.949 local terms energy: -736.460397 where: bonds (distance) C4'-P energy: -119.484 bonds (distance) P-C4' energy: -138.714 flat angles C4'-P-C4' energy: -150.288 flat angles P-C4'-P energy: -106.180 tors. eta vs tors. theta energy: -221.795 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: 4 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2378.311508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.311508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.311508 (E_RNA) where: Base-Base interactions energy: -1689.876 where: short stacking energy: -705.579 Base-Backbone interact. energy: -1.043 local terms energy: -687.393017 where: bonds (distance) C4'-P energy: -110.708 bonds (distance) P-C4' energy: -104.897 flat angles C4'-P-C4' energy: -151.658 flat angles P-C4'-P energy: -99.076 tors. eta vs tors. theta energy: -221.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2408.984758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.984758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.984758 (E_RNA) where: Base-Base interactions energy: -1691.965 where: short stacking energy: -689.695 Base-Backbone interact. energy: -0.751 local terms energy: -716.268509 where: bonds (distance) C4'-P energy: -121.428 bonds (distance) P-C4' energy: -132.189 flat angles C4'-P-C4' energy: -144.729 flat angles P-C4'-P energy: -107.963 tors. eta vs tors. theta energy: -209.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2136.800741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.800741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.800741 (E_RNA) where: Base-Base interactions energy: -1491.331 where: short stacking energy: -608.893 Base-Backbone interact. energy: -1.859 local terms energy: -643.611464 where: bonds (distance) C4'-P energy: -119.675 bonds (distance) P-C4' energy: -105.154 flat angles C4'-P-C4' energy: -143.896 flat angles P-C4'-P energy: -86.393 tors. eta vs tors. theta energy: -188.493 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: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1993.872205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.872205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.872205 (E_RNA) where: Base-Base interactions energy: -1399.923 where: short stacking energy: -582.830 Base-Backbone interact. energy: 0.512 local terms energy: -594.461227 where: bonds (distance) C4'-P energy: -102.771 bonds (distance) P-C4' energy: -91.627 flat angles C4'-P-C4' energy: -138.150 flat angles P-C4'-P energy: -83.609 tors. eta vs tors. theta energy: -178.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1602.288841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.288841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.288841 (E_RNA) where: Base-Base interactions energy: -1091.112 where: short stacking energy: -441.530 Base-Backbone interact. energy: -3.422 local terms energy: -507.754919 where: bonds (distance) C4'-P energy: -90.772 bonds (distance) P-C4' energy: -107.492 flat angles C4'-P-C4' energy: -111.938 flat angles P-C4'-P energy: -90.850 tors. eta vs tors. theta energy: -106.703 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: 6 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -842.669750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.669750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.669750 (E_RNA) where: Base-Base interactions energy: -476.866 where: short stacking energy: -237.206 Base-Backbone interact. energy: 2.598 local terms energy: -368.402082 where: bonds (distance) C4'-P energy: -110.447 bonds (distance) P-C4' energy: -115.002 flat angles C4'-P-C4' energy: -75.367 flat angles P-C4'-P energy: -52.207 tors. eta vs tors. theta energy: -15.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2706.667443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.667443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.667443 (E_RNA) where: Base-Base interactions energy: -1940.099 where: short stacking energy: -798.283 Base-Backbone interact. energy: 0.485 local terms energy: -767.053820 where: bonds (distance) C4'-P energy: -132.421 bonds (distance) P-C4' energy: -128.458 flat angles C4'-P-C4' energy: -161.023 flat angles P-C4'-P energy: -107.548 tors. eta vs tors. theta energy: -237.605 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: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2648.981461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.981461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.981461 (E_RNA) where: Base-Base interactions energy: -1892.457 where: short stacking energy: -772.754 Base-Backbone interact. energy: 1.738 local terms energy: -758.263120 where: bonds (distance) C4'-P energy: -131.118 bonds (distance) P-C4' energy: -138.960 flat angles C4'-P-C4' energy: -148.026 flat angles P-C4'-P energy: -107.079 tors. eta vs tors. theta energy: -233.080 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: 394 Temperature: 1.000000 Total energy: -2567.012369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.012369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.012369 (E_RNA) where: Base-Base interactions energy: -1821.098 where: short stacking energy: -749.951 Base-Backbone interact. energy: -1.054 local terms energy: -744.860571 where: bonds (distance) C4'-P energy: -118.753 bonds (distance) P-C4' energy: -120.474 flat angles C4'-P-C4' energy: -152.197 flat angles P-C4'-P energy: -112.163 tors. eta vs tors. theta energy: -241.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2470.356619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.356619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.356619 (E_RNA) where: Base-Base interactions energy: -1750.649 where: short stacking energy: -737.232 Base-Backbone interact. energy: -1.969 local terms energy: -717.738739 where: bonds (distance) C4'-P energy: -112.301 bonds (distance) P-C4' energy: -118.555 flat angles C4'-P-C4' energy: -154.682 flat angles P-C4'-P energy: -103.505 tors. eta vs tors. theta energy: -228.695 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: 4 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2374.340925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.340925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.340925 (E_RNA) where: Base-Base interactions energy: -1671.159 where: short stacking energy: -676.232 Base-Backbone interact. energy: -2.729 local terms energy: -700.452417 where: bonds (distance) C4'-P energy: -110.821 bonds (distance) P-C4' energy: -125.197 flat angles C4'-P-C4' energy: -147.906 flat angles P-C4'-P energy: -110.120 tors. eta vs tors. theta energy: -206.409 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: 10 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2405.393193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.393193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.393193 (E_RNA) where: Base-Base interactions energy: -1719.365 where: short stacking energy: -719.050 Base-Backbone interact. energy: -2.977 local terms energy: -683.051468 where: bonds (distance) C4'-P energy: -111.331 bonds (distance) P-C4' energy: -118.171 flat angles C4'-P-C4' energy: -139.924 flat angles P-C4'-P energy: -98.478 tors. eta vs tors. theta energy: -215.147 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: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2146.263477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.263477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.263477 (E_RNA) where: Base-Base interactions energy: -1541.047 where: short stacking energy: -613.514 Base-Backbone interact. energy: -1.204 local terms energy: -604.012616 where: bonds (distance) C4'-P energy: -100.254 bonds (distance) P-C4' energy: -125.012 flat angles C4'-P-C4' energy: -124.468 flat angles P-C4'-P energy: -68.097 tors. eta vs tors. theta energy: -186.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -2011.794916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.794916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.794916 (E_RNA) where: Base-Base interactions energy: -1395.020 where: short stacking energy: -577.939 Base-Backbone interact. energy: 1.101 local terms energy: -617.875891 where: bonds (distance) C4'-P energy: -109.414 bonds (distance) P-C4' energy: -102.622 flat angles C4'-P-C4' energy: -143.473 flat angles P-C4'-P energy: -85.467 tors. eta vs tors. theta energy: -176.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1647.350706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.350706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.350706 (E_RNA) where: Base-Base interactions energy: -1112.535 where: short stacking energy: -467.737 Base-Backbone interact. energy: 0.413 local terms energy: -535.229181 where: bonds (distance) C4'-P energy: -113.497 bonds (distance) P-C4' energy: -122.478 flat angles C4'-P-C4' energy: -105.159 flat angles P-C4'-P energy: -74.718 tors. eta vs tors. theta energy: -119.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -873.646482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.646482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.646482 (E_RNA) where: Base-Base interactions energy: -471.488 where: short stacking energy: -224.232 Base-Backbone interact. energy: -0.048 local terms energy: -402.110447 where: bonds (distance) C4'-P energy: -99.737 bonds (distance) P-C4' energy: -109.182 flat angles C4'-P-C4' energy: -117.004 flat angles P-C4'-P energy: -60.799 tors. eta vs tors. theta energy: -15.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2712.116403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.116403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.116403 (E_RNA) where: Base-Base interactions energy: -1949.148 where: short stacking energy: -772.622 Base-Backbone interact. energy: -2.653 local terms energy: -760.315111 where: bonds (distance) C4'-P energy: -130.215 bonds (distance) P-C4' energy: -130.103 flat angles C4'-P-C4' energy: -161.850 flat angles P-C4'-P energy: -109.615 tors. eta vs tors. theta energy: -228.532 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: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2667.039382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.039382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.039382 (E_RNA) where: Base-Base interactions energy: -1903.745 where: short stacking energy: -769.892 Base-Backbone interact. energy: -1.309 local terms energy: -761.985461 where: bonds (distance) C4'-P energy: -122.486 bonds (distance) P-C4' energy: -127.585 flat angles C4'-P-C4' energy: -165.960 flat angles P-C4'-P energy: -113.149 tors. eta vs tors. theta energy: -232.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2578.966743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.966743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.966743 (E_RNA) where: Base-Base interactions energy: -1851.121 where: short stacking energy: -746.223 Base-Backbone interact. energy: -1.686 local terms energy: -726.159267 where: bonds (distance) C4'-P energy: -128.551 bonds (distance) P-C4' energy: -126.328 flat angles C4'-P-C4' energy: -143.400 flat angles P-C4'-P energy: -96.340 tors. eta vs tors. theta energy: -231.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2492.750522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.750522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.750522 (E_RNA) where: Base-Base interactions energy: -1755.556 where: short stacking energy: -717.831 Base-Backbone interact. energy: -1.944 local terms energy: -735.250842 where: bonds (distance) C4'-P energy: -114.713 bonds (distance) P-C4' energy: -137.744 flat angles C4'-P-C4' energy: -155.418 flat angles P-C4'-P energy: -102.032 tors. eta vs tors. theta energy: -225.345 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: 395 Temperature: 1.100000 Total energy: -2389.607190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.607190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.607190 (E_RNA) where: Base-Base interactions energy: -1679.392 where: short stacking energy: -665.514 Base-Backbone interact. energy: -2.502 local terms energy: -707.712744 where: bonds (distance) C4'-P energy: -112.923 bonds (distance) P-C4' energy: -132.894 flat angles C4'-P-C4' energy: -140.314 flat angles P-C4'-P energy: -107.329 tors. eta vs tors. theta energy: -214.253 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: 10 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2391.785513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.785513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.785513 (E_RNA) where: Base-Base interactions energy: -1698.022 where: short stacking energy: -693.778 Base-Backbone interact. energy: -0.970 local terms energy: -692.793531 where: bonds (distance) C4'-P energy: -114.026 bonds (distance) P-C4' energy: -110.147 flat angles C4'-P-C4' energy: -149.014 flat angles P-C4'-P energy: -92.233 tors. eta vs tors. theta energy: -227.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2127.500397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.500397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.500397 (E_RNA) where: Base-Base interactions energy: -1504.723 where: short stacking energy: -608.934 Base-Backbone interact. energy: -1.221 local terms energy: -621.556244 where: bonds (distance) C4'-P energy: -117.961 bonds (distance) P-C4' energy: -113.752 flat angles C4'-P-C4' energy: -128.301 flat angles P-C4'-P energy: -94.033 tors. eta vs tors. theta energy: -167.510 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: 8, replica: 2 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -2016.738882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.738882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.738882 (E_RNA) where: Base-Base interactions energy: -1403.584 where: short stacking energy: -592.913 Base-Backbone interact. energy: 0.559 local terms energy: -613.713855 where: bonds (distance) C4'-P energy: -113.987 bonds (distance) P-C4' energy: -108.622 flat angles C4'-P-C4' energy: -136.257 flat angles P-C4'-P energy: -87.499 tors. eta vs tors. theta energy: -167.349 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: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1612.535492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.535492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.535492 (E_RNA) where: Base-Base interactions energy: -1096.546 where: short stacking energy: -475.611 Base-Backbone interact. energy: -3.470 local terms energy: -512.519449 where: bonds (distance) C4'-P energy: -120.855 bonds (distance) P-C4' energy: -95.386 flat angles C4'-P-C4' energy: -110.343 flat angles P-C4'-P energy: -74.955 tors. eta vs tors. theta energy: -110.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -866.086622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.086622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.086622 (E_RNA) where: Base-Base interactions energy: -498.733 where: short stacking energy: -235.372 Base-Backbone interact. energy: -1.023 local terms energy: -366.330579 where: bonds (distance) C4'-P energy: -99.860 bonds (distance) P-C4' energy: -118.802 flat angles C4'-P-C4' energy: -93.663 flat angles P-C4'-P energy: -43.530 tors. eta vs tors. theta energy: -10.476 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: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2714.069342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.069342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.069342 (E_RNA) where: Base-Base interactions energy: -1943.223 where: short stacking energy: -775.469 Base-Backbone interact. energy: -2.218 local terms energy: -768.628513 where: bonds (distance) C4'-P energy: -126.670 bonds (distance) P-C4' energy: -146.203 flat angles C4'-P-C4' energy: -154.795 flat angles P-C4'-P energy: -104.701 tors. eta vs tors. theta energy: -236.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2660.944872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.944872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.944872 (E_RNA) where: Base-Base interactions energy: -1913.094 where: short stacking energy: -780.325 Base-Backbone interact. energy: -4.564 local terms energy: -743.287045 where: bonds (distance) C4'-P energy: -133.150 bonds (distance) P-C4' energy: -120.892 flat angles C4'-P-C4' energy: -149.970 flat angles P-C4'-P energy: -113.767 tors. eta vs tors. theta energy: -225.508 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: 396 Temperature: 1.000000 Total energy: -2570.846958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.846958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.846958 (E_RNA) where: Base-Base interactions energy: -1842.694 where: short stacking energy: -753.446 Base-Backbone interact. energy: -1.384 local terms energy: -726.769637 where: bonds (distance) C4'-P energy: -124.021 bonds (distance) P-C4' energy: -133.734 flat angles C4'-P-C4' energy: -145.827 flat angles P-C4'-P energy: -88.131 tors. eta vs tors. theta energy: -235.057 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: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2494.040397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.040397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.040397 (E_RNA) where: Base-Base interactions energy: -1772.495 where: short stacking energy: -723.619 Base-Backbone interact. energy: -0.452 local terms energy: -721.092675 where: bonds (distance) C4'-P energy: -113.174 bonds (distance) P-C4' energy: -127.520 flat angles C4'-P-C4' energy: -137.472 flat angles P-C4'-P energy: -114.822 tors. eta vs tors. theta energy: -228.105 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: 396 Temperature: 1.100000 Total energy: -2406.180531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.180531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.180531 (E_RNA) where: Base-Base interactions energy: -1714.768 where: short stacking energy: -715.297 Base-Backbone interact. energy: -1.156 local terms energy: -690.255763 where: bonds (distance) C4'-P energy: -112.589 bonds (distance) P-C4' energy: -107.973 flat angles C4'-P-C4' energy: -144.379 flat angles P-C4'-P energy: -106.193 tors. eta vs tors. theta energy: -219.122 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: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2322.334080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.334080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.334080 (E_RNA) where: Base-Base interactions energy: -1642.060 where: short stacking energy: -670.366 Base-Backbone interact. energy: -5.838 local terms energy: -674.436903 where: bonds (distance) C4'-P energy: -115.726 bonds (distance) P-C4' energy: -123.734 flat angles C4'-P-C4' energy: -133.455 flat angles P-C4'-P energy: -102.144 tors. eta vs tors. theta energy: -199.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2121.867783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.867783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.867783 (E_RNA) where: Base-Base interactions energy: -1514.745 where: short stacking energy: -632.304 Base-Backbone interact. energy: -1.381 local terms energy: -605.742168 where: bonds (distance) C4'-P energy: -90.455 bonds (distance) P-C4' energy: -122.144 flat angles C4'-P-C4' energy: -117.024 flat angles P-C4'-P energy: -92.076 tors. eta vs tors. theta energy: -184.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1968.641655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.641655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.641655 (E_RNA) where: Base-Base interactions energy: -1360.211 where: short stacking energy: -573.687 Base-Backbone interact. energy: -1.089 local terms energy: -607.342275 where: bonds (distance) C4'-P energy: -103.263 bonds (distance) P-C4' energy: -109.764 flat angles C4'-P-C4' energy: -140.396 flat angles P-C4'-P energy: -92.431 tors. eta vs tors. theta energy: -161.488 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: 9, replica: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1529.166932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.166932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.166932 (E_RNA) where: Base-Base interactions energy: -1033.345 where: short stacking energy: -435.977 Base-Backbone interact. energy: 3.252 local terms energy: -499.073942 where: bonds (distance) C4'-P energy: -109.416 bonds (distance) P-C4' energy: -112.121 flat angles C4'-P-C4' energy: -97.837 flat angles P-C4'-P energy: -79.468 tors. eta vs tors. theta energy: -100.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -911.485017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.485017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.485017 (E_RNA) where: Base-Base interactions energy: -502.170 where: short stacking energy: -268.957 Base-Backbone interact. energy: 0.330 local terms energy: -409.645611 where: bonds (distance) C4'-P energy: -100.086 bonds (distance) P-C4' energy: -121.389 flat angles C4'-P-C4' energy: -81.910 flat angles P-C4'-P energy: -78.167 tors. eta vs tors. theta energy: -28.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2710.990260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.990260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.990260 (E_RNA) where: Base-Base interactions energy: -1917.030 where: short stacking energy: -781.337 Base-Backbone interact. energy: -4.071 local terms energy: -789.888777 where: bonds (distance) C4'-P energy: -138.204 bonds (distance) P-C4' energy: -139.681 flat angles C4'-P-C4' energy: -169.799 flat angles P-C4'-P energy: -102.861 tors. eta vs tors. theta energy: -239.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2656.025403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.025403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.025403 (E_RNA) where: Base-Base interactions energy: -1893.391 where: short stacking energy: -749.415 Base-Backbone interact. energy: -6.336 local terms energy: -756.298285 where: bonds (distance) C4'-P energy: -118.125 bonds (distance) P-C4' energy: -140.821 flat angles C4'-P-C4' energy: -157.251 flat angles P-C4'-P energy: -112.426 tors. eta vs tors. theta energy: -227.676 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: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2599.459965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.459965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.459965 (E_RNA) where: Base-Base interactions energy: -1857.938 where: short stacking energy: -749.426 Base-Backbone interact. energy: -3.512 local terms energy: -738.009795 where: bonds (distance) C4'-P energy: -121.502 bonds (distance) P-C4' energy: -116.995 flat angles C4'-P-C4' energy: -160.594 flat angles P-C4'-P energy: -106.626 tors. eta vs tors. theta energy: -232.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2511.590005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.590005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.590005 (E_RNA) where: Base-Base interactions energy: -1781.857 where: short stacking energy: -735.961 Base-Backbone interact. energy: 4.048 local terms energy: -733.780911 where: bonds (distance) C4'-P energy: -122.004 bonds (distance) P-C4' energy: -122.208 flat angles C4'-P-C4' energy: -157.314 flat angles P-C4'-P energy: -109.862 tors. eta vs tors. theta energy: -222.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2433.176458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.176458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.176458 (E_RNA) where: Base-Base interactions energy: -1747.447 where: short stacking energy: -710.960 Base-Backbone interact. energy: -2.790 local terms energy: -682.939490 where: bonds (distance) C4'-P energy: -117.850 bonds (distance) P-C4' energy: -101.684 flat angles C4'-P-C4' energy: -142.000 flat angles P-C4'-P energy: -108.403 tors. eta vs tors. theta energy: -213.002 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: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2342.795357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.795357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.795357 (E_RNA) where: Base-Base interactions energy: -1658.906 where: short stacking energy: -693.557 Base-Backbone interact. energy: -4.148 local terms energy: -679.741641 where: bonds (distance) C4'-P energy: -131.014 bonds (distance) P-C4' energy: -110.368 flat angles C4'-P-C4' energy: -140.331 flat angles P-C4'-P energy: -86.991 tors. eta vs tors. theta energy: -211.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2168.880299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.880299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.880299 (E_RNA) where: Base-Base interactions energy: -1545.153 where: short stacking energy: -620.187 Base-Backbone interact. energy: 1.008 local terms energy: -624.735270 where: bonds (distance) C4'-P energy: -119.310 bonds (distance) P-C4' energy: -109.901 flat angles C4'-P-C4' energy: -131.380 flat angles P-C4'-P energy: -92.638 tors. eta vs tors. theta energy: -171.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1966.378886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.378886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.378886 (E_RNA) where: Base-Base interactions energy: -1390.664 where: short stacking energy: -574.975 Base-Backbone interact. energy: -0.158 local terms energy: -575.557782 where: bonds (distance) C4'-P energy: -101.877 bonds (distance) P-C4' energy: -105.144 flat angles C4'-P-C4' energy: -134.551 flat angles P-C4'-P energy: -68.843 tors. eta vs tors. theta energy: -165.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1498.969052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.969052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.969052 (E_RNA) where: Base-Base interactions energy: -1009.793 where: short stacking energy: -431.392 Base-Backbone interact. energy: -1.200 local terms energy: -487.975545 where: bonds (distance) C4'-P energy: -114.712 bonds (distance) P-C4' energy: -102.137 flat angles C4'-P-C4' energy: -108.523 flat angles P-C4'-P energy: -69.152 tors. eta vs tors. theta energy: -93.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -825.757785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.757785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.757785 (E_RNA) where: Base-Base interactions energy: -445.433 where: short stacking energy: -244.900 Base-Backbone interact. energy: 2.991 local terms energy: -383.315593 where: bonds (distance) C4'-P energy: -104.041 bonds (distance) P-C4' energy: -118.687 flat angles C4'-P-C4' energy: -97.150 flat angles P-C4'-P energy: -48.290 tors. eta vs tors. theta energy: -15.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2692.787944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.787944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.787944 (E_RNA) where: Base-Base interactions energy: -1936.046 where: short stacking energy: -790.521 Base-Backbone interact. energy: -3.757 local terms energy: -752.984533 where: bonds (distance) C4'-P energy: -124.811 bonds (distance) P-C4' energy: -125.736 flat angles C4'-P-C4' energy: -165.717 flat angles P-C4'-P energy: -97.935 tors. eta vs tors. theta energy: -238.786 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: 3 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2660.906790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.906790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.906790 (E_RNA) where: Base-Base interactions energy: -1898.050 where: short stacking energy: -781.155 Base-Backbone interact. energy: -2.041 local terms energy: -760.816061 where: bonds (distance) C4'-P energy: -127.330 bonds (distance) P-C4' energy: -130.615 flat angles C4'-P-C4' energy: -155.203 flat angles P-C4'-P energy: -113.798 tors. eta vs tors. theta energy: -233.869 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: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2529.042562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.042562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.042562 (E_RNA) where: Base-Base interactions energy: -1802.252 where: short stacking energy: -736.375 Base-Backbone interact. energy: -4.171 local terms energy: -722.620485 where: bonds (distance) C4'-P energy: -134.300 bonds (distance) P-C4' energy: -112.209 flat angles C4'-P-C4' energy: -150.676 flat angles P-C4'-P energy: -103.074 tors. eta vs tors. theta energy: -222.362 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: 398 Temperature: 1.050000 Total energy: -2550.818124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.818124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.818124 (E_RNA) where: Base-Base interactions energy: -1830.144 where: short stacking energy: -752.944 Base-Backbone interact. energy: -1.253 local terms energy: -719.421005 where: bonds (distance) C4'-P energy: -122.891 bonds (distance) P-C4' energy: -125.563 flat angles C4'-P-C4' energy: -139.219 flat angles P-C4'-P energy: -97.930 tors. eta vs tors. theta energy: -233.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2466.958151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.958151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.958151 (E_RNA) where: Base-Base interactions energy: -1757.503 where: short stacking energy: -714.181 Base-Backbone interact. energy: 2.856 local terms energy: -712.310784 where: bonds (distance) C4'-P energy: -112.113 bonds (distance) P-C4' energy: -132.136 flat angles C4'-P-C4' energy: -150.297 flat angles P-C4'-P energy: -99.979 tors. eta vs tors. theta energy: -217.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2279.361289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.361289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.361289 (E_RNA) where: Base-Base interactions energy: -1616.937 where: short stacking energy: -646.801 Base-Backbone interact. energy: 3.677 local terms energy: -666.101950 where: bonds (distance) C4'-P energy: -110.536 bonds (distance) P-C4' energy: -116.505 flat angles C4'-P-C4' energy: -149.227 flat angles P-C4'-P energy: -91.780 tors. eta vs tors. theta energy: -198.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2131.005181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.005181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.005181 (E_RNA) where: Base-Base interactions energy: -1491.589 where: short stacking energy: -599.188 Base-Backbone interact. energy: -0.926 local terms energy: -638.490614 where: bonds (distance) C4'-P energy: -125.574 bonds (distance) P-C4' energy: -126.131 flat angles C4'-P-C4' energy: -122.728 flat angles P-C4'-P energy: -80.752 tors. eta vs tors. theta energy: -183.307 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: 5 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -2026.661109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.661109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.661109 (E_RNA) where: Base-Base interactions energy: -1437.646 where: short stacking energy: -583.119 Base-Backbone interact. energy: 1.746 local terms energy: -590.761859 where: bonds (distance) C4'-P energy: -118.969 bonds (distance) P-C4' energy: -102.082 flat angles C4'-P-C4' energy: -122.555 flat angles P-C4'-P energy: -71.980 tors. eta vs tors. theta energy: -175.176 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: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1580.075578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.075578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.075578 (E_RNA) where: Base-Base interactions energy: -1069.874 where: short stacking energy: -432.425 Base-Backbone interact. energy: -3.268 local terms energy: -506.933363 where: bonds (distance) C4'-P energy: -110.904 bonds (distance) P-C4' energy: -117.919 flat angles C4'-P-C4' energy: -99.366 flat angles P-C4'-P energy: -65.054 tors. eta vs tors. theta energy: -113.691 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: 6 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -885.512830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.512830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.512830 (E_RNA) where: Base-Base interactions energy: -504.307 where: short stacking energy: -229.120 Base-Backbone interact. energy: -0.921 local terms energy: -380.284910 where: bonds (distance) C4'-P energy: -98.198 bonds (distance) P-C4' energy: -115.831 flat angles C4'-P-C4' energy: -104.000 flat angles P-C4'-P energy: -70.355 tors. eta vs tors. theta energy: 8.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2712.504475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.504475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.504475 (E_RNA) where: Base-Base interactions energy: -1951.083 where: short stacking energy: -789.119 Base-Backbone interact. energy: -0.346 local terms energy: -761.075411 where: bonds (distance) C4'-P energy: -142.737 bonds (distance) P-C4' energy: -122.002 flat angles C4'-P-C4' energy: -153.920 flat angles P-C4'-P energy: -110.052 tors. eta vs tors. theta energy: -232.365 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: 2, replica: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2646.882550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.882550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.882550 (E_RNA) where: Base-Base interactions energy: -1892.772 where: short stacking energy: -776.876 Base-Backbone interact. energy: -2.013 local terms energy: -752.097429 where: bonds (distance) C4'-P energy: -126.292 bonds (distance) P-C4' energy: -129.554 flat angles C4'-P-C4' energy: -148.205 flat angles P-C4'-P energy: -112.657 tors. eta vs tors. theta energy: -235.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2528.491233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.491233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.491233 (E_RNA) where: Base-Base interactions energy: -1793.652 where: short stacking energy: -744.313 Base-Backbone interact. energy: -1.066 local terms energy: -733.772919 where: bonds (distance) C4'-P energy: -133.664 bonds (distance) P-C4' energy: -128.654 flat angles C4'-P-C4' energy: -145.214 flat angles P-C4'-P energy: -98.017 tors. eta vs tors. theta energy: -228.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2498.837796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.837796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.837796 (E_RNA) where: Base-Base interactions energy: -1795.928 where: short stacking energy: -722.876 Base-Backbone interact. energy: -0.676 local terms energy: -702.234432 where: bonds (distance) C4'-P energy: -121.086 bonds (distance) P-C4' energy: -120.830 flat angles C4'-P-C4' energy: -143.452 flat angles P-C4'-P energy: -98.177 tors. eta vs tors. theta energy: -218.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2491.608979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.608979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.608979 (E_RNA) where: Base-Base interactions energy: -1790.883 where: short stacking energy: -702.169 Base-Backbone interact. energy: -2.506 local terms energy: -698.219994 where: bonds (distance) C4'-P energy: -117.625 bonds (distance) P-C4' energy: -120.864 flat angles C4'-P-C4' energy: -145.279 flat angles P-C4'-P energy: -93.969 tors. eta vs tors. theta energy: -220.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2275.292150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.292150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.292150 (E_RNA) where: Base-Base interactions energy: -1604.343 where: short stacking energy: -654.819 Base-Backbone interact. energy: -2.287 local terms energy: -668.662324 where: bonds (distance) C4'-P energy: -108.483 bonds (distance) P-C4' energy: -123.309 flat angles C4'-P-C4' energy: -143.313 flat angles P-C4'-P energy: -102.610 tors. eta vs tors. theta energy: -190.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2078.031198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.031198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.031198 (E_RNA) where: Base-Base interactions energy: -1438.082 where: short stacking energy: -607.885 Base-Backbone interact. energy: -0.680 local terms energy: -639.269418 where: bonds (distance) C4'-P energy: -125.238 bonds (distance) P-C4' energy: -120.661 flat angles C4'-P-C4' energy: -135.135 flat angles P-C4'-P energy: -86.445 tors. eta vs tors. theta energy: -171.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -2045.374933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.374933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.374933 (E_RNA) where: Base-Base interactions energy: -1466.376 where: short stacking energy: -637.192 Base-Backbone interact. energy: -0.416 local terms energy: -578.582835 where: bonds (distance) C4'-P energy: -109.327 bonds (distance) P-C4' energy: -90.606 flat angles C4'-P-C4' energy: -134.063 flat angles P-C4'-P energy: -62.573 tors. eta vs tors. theta energy: -182.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1584.136742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.136742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.136742 (E_RNA) where: Base-Base interactions energy: -1089.646 where: short stacking energy: -465.210 Base-Backbone interact. energy: 1.293 local terms energy: -495.783970 where: bonds (distance) C4'-P energy: -114.629 bonds (distance) P-C4' energy: -98.846 flat angles C4'-P-C4' energy: -108.081 flat angles P-C4'-P energy: -70.167 tors. eta vs tors. theta energy: -104.061 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: 6 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -997.953392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.953392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.953392 (E_RNA) where: Base-Base interactions energy: -583.778 where: short stacking energy: -284.333 Base-Backbone interact. energy: -1.439 local terms energy: -412.736762 where: bonds (distance) C4'-P energy: -112.718 bonds (distance) P-C4' energy: -107.527 flat angles C4'-P-C4' energy: -97.546 flat angles P-C4'-P energy: -67.931 tors. eta vs tors. theta energy: -27.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2718.890042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.890042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.890042 (E_RNA) where: Base-Base interactions energy: -1958.351 where: short stacking energy: -788.986 Base-Backbone interact. energy: -2.491 local terms energy: -758.047596 where: bonds (distance) C4'-P energy: -117.951 bonds (distance) P-C4' energy: -140.205 flat angles C4'-P-C4' energy: -154.178 flat angles P-C4'-P energy: -109.755 tors. eta vs tors. theta energy: -235.958 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: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2672.976198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.976198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.976198 (E_RNA) where: Base-Base interactions energy: -1893.286 where: short stacking energy: -776.449 Base-Backbone interact. energy: -2.263 local terms energy: -777.426656 where: bonds (distance) C4'-P energy: -140.011 bonds (distance) P-C4' energy: -133.046 flat angles C4'-P-C4' energy: -162.255 flat angles P-C4'-P energy: -108.104 tors. eta vs tors. theta energy: -234.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2547.213548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.213548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.213548 (E_RNA) where: Base-Base interactions energy: -1817.434 where: short stacking energy: -749.468 Base-Backbone interact. energy: 6.151 local terms energy: -735.931226 where: bonds (distance) C4'-P energy: -127.929 bonds (distance) P-C4' energy: -124.433 flat angles C4'-P-C4' energy: -150.479 flat angles P-C4'-P energy: -98.754 tors. eta vs tors. theta energy: -234.336 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: 10 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2532.442834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.442834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.442834 (E_RNA) where: Base-Base interactions energy: -1774.705 where: short stacking energy: -722.381 Base-Backbone interact. energy: -0.720 local terms energy: -757.017334 where: bonds (distance) C4'-P energy: -138.981 bonds (distance) P-C4' energy: -132.740 flat angles C4'-P-C4' energy: -162.474 flat angles P-C4'-P energy: -96.860 tors. eta vs tors. theta energy: -225.962 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: 400 Temperature: 1.100000 Total energy: -2499.049240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.049240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.049240 (E_RNA) where: Base-Base interactions energy: -1775.977 where: short stacking energy: -723.108 Base-Backbone interact. energy: -0.555 local terms energy: -722.517208 where: bonds (distance) C4'-P energy: -132.533 bonds (distance) P-C4' energy: -110.563 flat angles C4'-P-C4' energy: -153.326 flat angles P-C4'-P energy: -102.170 tors. eta vs tors. theta energy: -223.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2290.402888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.402888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.402888 (E_RNA) where: Base-Base interactions energy: -1628.004 where: short stacking energy: -661.092 Base-Backbone interact. energy: -1.481 local terms energy: -660.918221 where: bonds (distance) C4'-P energy: -116.676 bonds (distance) P-C4' energy: -111.993 flat angles C4'-P-C4' energy: -139.100 flat angles P-C4'-P energy: -102.540 tors. eta vs tors. theta energy: -190.609 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: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2113.616478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.616478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.616478 (E_RNA) where: Base-Base interactions energy: -1491.152 where: short stacking energy: -617.470 Base-Backbone interact. energy: -1.364 local terms energy: -621.100152 where: bonds (distance) C4'-P energy: -98.525 bonds (distance) P-C4' energy: -120.565 flat angles C4'-P-C4' energy: -129.595 flat angles P-C4'-P energy: -91.926 tors. eta vs tors. theta energy: -180.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -2069.457406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.457406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.457406 (E_RNA) where: Base-Base interactions energy: -1457.050 where: short stacking energy: -626.755 Base-Backbone interact. energy: -1.452 local terms energy: -610.955542 where: bonds (distance) C4'-P energy: -112.707 bonds (distance) P-C4' energy: -99.166 flat angles C4'-P-C4' energy: -146.723 flat angles P-C4'-P energy: -80.896 tors. eta vs tors. theta energy: -171.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1554.044238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.044238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.044238 (E_RNA) where: Base-Base interactions energy: -1053.868 where: short stacking energy: -446.048 Base-Backbone interact. energy: 1.518 local terms energy: -501.694120 where: bonds (distance) C4'-P energy: -119.455 bonds (distance) P-C4' energy: -103.343 flat angles C4'-P-C4' energy: -115.417 flat angles P-C4'-P energy: -64.085 tors. eta vs tors. theta energy: -99.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1031.419448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.419448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.419448 (E_RNA) where: Base-Base interactions energy: -618.768 where: short stacking energy: -277.563 Base-Backbone interact. energy: -2.603 local terms energy: -410.048125 where: bonds (distance) C4'-P energy: -106.184 bonds (distance) P-C4' energy: -132.277 flat angles C4'-P-C4' energy: -88.644 flat angles P-C4'-P energy: -53.889 tors. eta vs tors. theta energy: -29.055 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: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2712.474452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.474452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.474452 (E_RNA) where: Base-Base interactions energy: -1943.831 where: short stacking energy: -761.950 Base-Backbone interact. energy: 0.950 local terms energy: -769.593011 where: bonds (distance) C4'-P energy: -140.487 bonds (distance) P-C4' energy: -133.201 flat angles C4'-P-C4' energy: -154.938 flat angles P-C4'-P energy: -105.563 tors. eta vs tors. theta energy: -235.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2690.992091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.992091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.992091 (E_RNA) where: Base-Base interactions energy: -1904.974 where: short stacking energy: -782.840 Base-Backbone interact. energy: -3.147 local terms energy: -782.871235 where: bonds (distance) C4'-P energy: -135.398 bonds (distance) P-C4' energy: -140.315 flat angles C4'-P-C4' energy: -156.878 flat angles P-C4'-P energy: -105.182 tors. eta vs tors. theta energy: -245.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2539.350642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.350642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.350642 (E_RNA) where: Base-Base interactions energy: -1802.688 where: short stacking energy: -745.692 Base-Backbone interact. energy: 2.737 local terms energy: -739.398714 where: bonds (distance) C4'-P energy: -124.957 bonds (distance) P-C4' energy: -124.308 flat angles C4'-P-C4' energy: -150.413 flat angles P-C4'-P energy: -110.184 tors. eta vs tors. theta energy: -229.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2493.966736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.966736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.966736 (E_RNA) where: Base-Base interactions energy: -1765.634 where: short stacking energy: -719.578 Base-Backbone interact. energy: 6.235 local terms energy: -734.567735 where: bonds (distance) C4'-P energy: -127.634 bonds (distance) P-C4' energy: -133.050 flat angles C4'-P-C4' energy: -146.542 flat angles P-C4'-P energy: -104.525 tors. eta vs tors. theta energy: -222.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2462.772632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.772632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.772632 (E_RNA) where: Base-Base interactions energy: -1746.873 where: short stacking energy: -727.578 Base-Backbone interact. energy: -2.873 local terms energy: -713.026210 where: bonds (distance) C4'-P energy: -97.370 bonds (distance) P-C4' energy: -118.726 flat angles C4'-P-C4' energy: -158.231 flat angles P-C4'-P energy: -99.979 tors. eta vs tors. theta energy: -238.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2268.571048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.571048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.571048 (E_RNA) where: Base-Base interactions energy: -1619.101 where: short stacking energy: -645.524 Base-Backbone interact. energy: 2.017 local terms energy: -651.486850 where: bonds (distance) C4'-P energy: -117.868 bonds (distance) P-C4' energy: -105.609 flat angles C4'-P-C4' energy: -145.435 flat angles P-C4'-P energy: -86.971 tors. eta vs tors. theta energy: -195.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2176.178094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.178094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.178094 (E_RNA) where: Base-Base interactions energy: -1549.935 where: short stacking energy: -627.103 Base-Backbone interact. energy: 2.706 local terms energy: -628.948650 where: bonds (distance) C4'-P energy: -116.355 bonds (distance) P-C4' energy: -126.582 flat angles C4'-P-C4' energy: -122.504 flat angles P-C4'-P energy: -77.996 tors. eta vs tors. theta energy: -185.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -2143.945560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.945560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.945560 (E_RNA) where: Base-Base interactions energy: -1496.349 where: short stacking energy: -642.747 Base-Backbone interact. energy: -3.463 local terms energy: -644.133232 where: bonds (distance) C4'-P energy: -102.216 bonds (distance) P-C4' energy: -118.767 flat angles C4'-P-C4' energy: -145.750 flat angles P-C4'-P energy: -85.119 tors. eta vs tors. theta energy: -192.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1506.578473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.578473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.578473 (E_RNA) where: Base-Base interactions energy: -1033.292 where: short stacking energy: -432.914 Base-Backbone interact. energy: 6.677 local terms energy: -479.963691 where: bonds (distance) C4'-P energy: -109.442 bonds (distance) P-C4' energy: -92.117 flat angles C4'-P-C4' energy: -116.043 flat angles P-C4'-P energy: -67.316 tors. eta vs tors. theta energy: -95.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -940.031506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.031506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.031506 (E_RNA) where: Base-Base interactions energy: -565.123 where: short stacking energy: -258.965 Base-Backbone interact. energy: -0.835 local terms energy: -374.074077 where: bonds (distance) C4'-P energy: -103.827 bonds (distance) P-C4' energy: -109.291 flat angles C4'-P-C4' energy: -84.539 flat angles P-C4'-P energy: -46.419 tors. eta vs tors. theta energy: -29.997 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: 1, replica: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2691.564860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.564860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.564860 (E_RNA) where: Base-Base interactions energy: -1934.540 where: short stacking energy: -781.993 Base-Backbone interact. energy: -3.469 local terms energy: -753.555822 where: bonds (distance) C4'-P energy: -120.958 bonds (distance) P-C4' energy: -127.198 flat angles C4'-P-C4' energy: -160.983 flat angles P-C4'-P energy: -104.840 tors. eta vs tors. theta energy: -239.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2673.125413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.125413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.125413 (E_RNA) where: Base-Base interactions energy: -1911.617 where: short stacking energy: -791.617 Base-Backbone interact. energy: -1.741 local terms energy: -759.766888 where: bonds (distance) C4'-P energy: -127.635 bonds (distance) P-C4' energy: -132.178 flat angles C4'-P-C4' energy: -153.061 flat angles P-C4'-P energy: -107.067 tors. eta vs tors. theta energy: -239.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2544.851873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.851873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.851873 (E_RNA) where: Base-Base interactions energy: -1800.663 where: short stacking energy: -737.307 Base-Backbone interact. energy: -3.538 local terms energy: -740.651342 where: bonds (distance) C4'-P energy: -111.702 bonds (distance) P-C4' energy: -134.001 flat angles C4'-P-C4' energy: -158.754 flat angles P-C4'-P energy: -107.133 tors. eta vs tors. theta energy: -229.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2497.752292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.752292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.752292 (E_RNA) where: Base-Base interactions energy: -1776.768 where: short stacking energy: -718.771 Base-Backbone interact. energy: 1.534 local terms energy: -722.518252 where: bonds (distance) C4'-P energy: -116.637 bonds (distance) P-C4' energy: -130.503 flat angles C4'-P-C4' energy: -145.956 flat angles P-C4'-P energy: -110.076 tors. eta vs tors. theta energy: -219.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2475.282285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.282285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.282285 (E_RNA) where: Base-Base interactions energy: -1753.445 where: short stacking energy: -732.175 Base-Backbone interact. energy: -2.609 local terms energy: -719.228563 where: bonds (distance) C4'-P energy: -117.556 bonds (distance) P-C4' energy: -123.020 flat angles C4'-P-C4' energy: -151.620 flat angles P-C4'-P energy: -95.139 tors. eta vs tors. theta energy: -231.892 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: 4 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2279.898732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.898732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.898732 (E_RNA) where: Base-Base interactions energy: -1615.432 where: short stacking energy: -648.470 Base-Backbone interact. energy: -0.622 local terms energy: -663.844923 where: bonds (distance) C4'-P energy: -110.863 bonds (distance) P-C4' energy: -111.390 flat angles C4'-P-C4' energy: -150.963 flat angles P-C4'-P energy: -89.959 tors. eta vs tors. theta energy: -200.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2118.378785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.378785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.378785 (E_RNA) where: Base-Base interactions energy: -1454.618 where: short stacking energy: -634.732 Base-Backbone interact. energy: -1.937 local terms energy: -661.824431 where: bonds (distance) C4'-P energy: -122.916 bonds (distance) P-C4' energy: -112.394 flat angles C4'-P-C4' energy: -149.214 flat angles P-C4'-P energy: -81.176 tors. eta vs tors. theta energy: -196.125 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: 8, replica: 5 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -2128.205873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.205873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.205873 (E_RNA) where: Base-Base interactions energy: -1521.244 where: short stacking energy: -620.801 Base-Backbone interact. energy: -1.709 local terms energy: -605.252945 where: bonds (distance) C4'-P energy: -108.210 bonds (distance) P-C4' energy: -108.916 flat angles C4'-P-C4' energy: -124.523 flat angles P-C4'-P energy: -86.717 tors. eta vs tors. theta energy: -176.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1480.565603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.565603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.565603 (E_RNA) where: Base-Base interactions energy: -1037.522 where: short stacking energy: -422.647 Base-Backbone interact. energy: 1.527 local terms energy: -444.570272 where: bonds (distance) C4'-P energy: -102.230 bonds (distance) P-C4' energy: -90.500 flat angles C4'-P-C4' energy: -107.716 flat angles P-C4'-P energy: -66.843 tors. eta vs tors. theta energy: -77.281 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: 6 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -953.673959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.673959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.673959 (E_RNA) where: Base-Base interactions energy: -547.390 where: short stacking energy: -235.362 Base-Backbone interact. energy: 1.856 local terms energy: -408.140557 where: bonds (distance) C4'-P energy: -112.360 bonds (distance) P-C4' energy: -108.470 flat angles C4'-P-C4' energy: -101.643 flat angles P-C4'-P energy: -61.566 tors. eta vs tors. theta energy: -24.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2696.514359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.514359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.514359 (E_RNA) where: Base-Base interactions energy: -1945.711 where: short stacking energy: -781.547 Base-Backbone interact. energy: -1.134 local terms energy: -749.670044 where: bonds (distance) C4'-P energy: -120.027 bonds (distance) P-C4' energy: -123.878 flat angles C4'-P-C4' energy: -153.167 flat angles P-C4'-P energy: -116.334 tors. eta vs tors. theta energy: -236.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2678.658096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.658096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.658096 (E_RNA) where: Base-Base interactions energy: -1924.476 where: short stacking energy: -793.594 Base-Backbone interact. energy: 0.296 local terms energy: -754.478488 where: bonds (distance) C4'-P energy: -134.680 bonds (distance) P-C4' energy: -118.174 flat angles C4'-P-C4' energy: -153.695 flat angles P-C4'-P energy: -106.388 tors. eta vs tors. theta energy: -241.541 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: 3, replica: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2547.778788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.778788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.778788 (E_RNA) where: Base-Base interactions energy: -1831.079 where: short stacking energy: -747.256 Base-Backbone interact. energy: 4.220 local terms energy: -720.919671 where: bonds (distance) C4'-P energy: -103.473 bonds (distance) P-C4' energy: -124.564 flat angles C4'-P-C4' energy: -154.432 flat angles P-C4'-P energy: -102.158 tors. eta vs tors. theta energy: -236.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2482.555965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.555965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.555965 (E_RNA) where: Base-Base interactions energy: -1761.919 where: short stacking energy: -719.157 Base-Backbone interact. energy: -1.080 local terms energy: -719.556630 where: bonds (distance) C4'-P energy: -120.019 bonds (distance) P-C4' energy: -119.550 flat angles C4'-P-C4' energy: -148.917 flat angles P-C4'-P energy: -103.017 tors. eta vs tors. theta energy: -228.054 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: 9 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2462.938388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.938388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.938388 (E_RNA) where: Base-Base interactions energy: -1774.030 where: short stacking energy: -704.400 Base-Backbone interact. energy: 1.924 local terms energy: -690.832818 where: bonds (distance) C4'-P energy: -111.629 bonds (distance) P-C4' energy: -114.336 flat angles C4'-P-C4' energy: -134.352 flat angles P-C4'-P energy: -119.065 tors. eta vs tors. theta energy: -211.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2309.058156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.058156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.058156 (E_RNA) where: Base-Base interactions energy: -1640.847 where: short stacking energy: -673.457 Base-Backbone interact. energy: -2.921 local terms energy: -665.289886 where: bonds (distance) C4'-P energy: -103.414 bonds (distance) P-C4' energy: -131.888 flat angles C4'-P-C4' energy: -138.537 flat angles P-C4'-P energy: -93.381 tors. eta vs tors. theta energy: -198.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2153.349092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.349092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.349092 (E_RNA) where: Base-Base interactions energy: -1507.931 where: short stacking energy: -619.009 Base-Backbone interact. energy: 1.187 local terms energy: -646.605467 where: bonds (distance) C4'-P energy: -101.822 bonds (distance) P-C4' energy: -124.337 flat angles C4'-P-C4' energy: -132.950 flat angles P-C4'-P energy: -93.880 tors. eta vs tors. theta energy: -193.617 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: 5 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -2065.598623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.598623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.598623 (E_RNA) where: Base-Base interactions energy: -1449.940 where: short stacking energy: -587.319 Base-Backbone interact. energy: -0.738 local terms energy: -614.920623 where: bonds (distance) C4'-P energy: -113.009 bonds (distance) P-C4' energy: -120.435 flat angles C4'-P-C4' energy: -114.936 flat angles P-C4'-P energy: -83.251 tors. eta vs tors. theta energy: -183.289 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: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1520.061460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.061460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.061460 (E_RNA) where: Base-Base interactions energy: -1014.814 where: short stacking energy: -435.262 Base-Backbone interact. energy: 5.024 local terms energy: -510.272016 where: bonds (distance) C4'-P energy: -109.740 bonds (distance) P-C4' energy: -116.047 flat angles C4'-P-C4' energy: -109.208 flat angles P-C4'-P energy: -76.743 tors. eta vs tors. theta energy: -98.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -932.473681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.473681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.473681 (E_RNA) where: Base-Base interactions energy: -552.946 where: short stacking energy: -275.366 Base-Backbone interact. energy: 1.092 local terms energy: -380.620456 where: bonds (distance) C4'-P energy: -107.692 bonds (distance) P-C4' energy: -110.797 flat angles C4'-P-C4' energy: -84.873 flat angles P-C4'-P energy: -57.681 tors. eta vs tors. theta energy: -19.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2705.354107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.354107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.354107 (E_RNA) where: Base-Base interactions energy: -1923.987 where: short stacking energy: -787.645 Base-Backbone interact. energy: 1.152 local terms energy: -782.518718 where: bonds (distance) C4'-P energy: -135.283 bonds (distance) P-C4' energy: -136.680 flat angles C4'-P-C4' energy: -161.804 flat angles P-C4'-P energy: -110.604 tors. eta vs tors. theta energy: -238.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2650.674869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.674869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.674869 (E_RNA) where: Base-Base interactions energy: -1878.904 where: short stacking energy: -760.539 Base-Backbone interact. energy: -2.037 local terms energy: -769.733987 where: bonds (distance) C4'-P energy: -126.560 bonds (distance) P-C4' energy: -143.909 flat angles C4'-P-C4' energy: -160.972 flat angles P-C4'-P energy: -102.271 tors. eta vs tors. theta energy: -236.021 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: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2509.725541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.725541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.725541 (E_RNA) where: Base-Base interactions energy: -1790.546 where: short stacking energy: -721.702 Base-Backbone interact. energy: -1.741 local terms energy: -717.438302 where: bonds (distance) C4'-P energy: -122.632 bonds (distance) P-C4' energy: -119.128 flat angles C4'-P-C4' energy: -153.788 flat angles P-C4'-P energy: -98.057 tors. eta vs tors. theta energy: -223.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2481.817236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.817236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.817236 (E_RNA) where: Base-Base interactions energy: -1773.319 where: short stacking energy: -747.048 Base-Backbone interact. energy: -0.556 local terms energy: -707.941893 where: bonds (distance) C4'-P energy: -111.840 bonds (distance) P-C4' energy: -114.166 flat angles C4'-P-C4' energy: -156.285 flat angles P-C4'-P energy: -108.512 tors. eta vs tors. theta energy: -217.140 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: 9 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2457.313157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.313157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.313157 (E_RNA) where: Base-Base interactions energy: -1765.158 where: short stacking energy: -720.637 Base-Backbone interact. energy: -1.868 local terms energy: -690.287739 where: bonds (distance) C4'-P energy: -131.338 bonds (distance) P-C4' energy: -105.650 flat angles C4'-P-C4' energy: -131.012 flat angles P-C4'-P energy: -103.164 tors. eta vs tors. theta energy: -219.124 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: 6, replica: 4 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2332.248253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.248253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.248253 (E_RNA) where: Base-Base interactions energy: -1664.581 where: short stacking energy: -674.240 Base-Backbone interact. energy: 1.337 local terms energy: -669.004026 where: bonds (distance) C4'-P energy: -105.535 bonds (distance) P-C4' energy: -115.691 flat angles C4'-P-C4' energy: -146.441 flat angles P-C4'-P energy: -89.230 tors. eta vs tors. theta energy: -212.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -2163.892633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.892633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.892633 (E_RNA) where: Base-Base interactions energy: -1522.721 where: short stacking energy: -631.806 Base-Backbone interact. energy: -0.486 local terms energy: -640.685675 where: bonds (distance) C4'-P energy: -119.889 bonds (distance) P-C4' energy: -106.283 flat angles C4'-P-C4' energy: -144.244 flat angles P-C4'-P energy: -77.882 tors. eta vs tors. theta energy: -192.387 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: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -2065.047959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.047959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.047959 (E_RNA) where: Base-Base interactions energy: -1465.884 where: short stacking energy: -620.320 Base-Backbone interact. energy: 0.928 local terms energy: -600.091258 where: bonds (distance) C4'-P energy: -94.998 bonds (distance) P-C4' energy: -107.201 flat angles C4'-P-C4' energy: -128.969 flat angles P-C4'-P energy: -86.125 tors. eta vs tors. theta energy: -182.798 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: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1596.272579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.272579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.272579 (E_RNA) where: Base-Base interactions energy: -1085.697 where: short stacking energy: -439.077 Base-Backbone interact. energy: -0.800 local terms energy: -509.775138 where: bonds (distance) C4'-P energy: -98.403 bonds (distance) P-C4' energy: -111.775 flat angles C4'-P-C4' energy: -127.011 flat angles P-C4'-P energy: -64.677 tors. eta vs tors. theta energy: -107.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -997.161164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.161164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.161164 (E_RNA) where: Base-Base interactions energy: -564.733 where: short stacking energy: -283.347 Base-Backbone interact. energy: 2.509 local terms energy: -434.937565 where: bonds (distance) C4'-P energy: -108.119 bonds (distance) P-C4' energy: -133.563 flat angles C4'-P-C4' energy: -103.941 flat angles P-C4'-P energy: -64.675 tors. eta vs tors. theta energy: -24.641 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: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2708.336720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.336720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.336720 (E_RNA) where: Base-Base interactions energy: -1929.426 where: short stacking energy: -769.525 Base-Backbone interact. energy: -3.532 local terms energy: -775.379224 where: bonds (distance) C4'-P energy: -138.037 bonds (distance) P-C4' energy: -138.393 flat angles C4'-P-C4' energy: -153.445 flat angles P-C4'-P energy: -102.874 tors. eta vs tors. theta energy: -242.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2660.251275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.251275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.251275 (E_RNA) where: Base-Base interactions energy: -1879.727 where: short stacking energy: -780.982 Base-Backbone interact. energy: -3.537 local terms energy: -776.987427 where: bonds (distance) C4'-P energy: -130.515 bonds (distance) P-C4' energy: -132.982 flat angles C4'-P-C4' energy: -154.604 flat angles P-C4'-P energy: -114.874 tors. eta vs tors. theta energy: -244.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2522.046115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.046115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.046115 (E_RNA) where: Base-Base interactions energy: -1808.916 where: short stacking energy: -754.710 Base-Backbone interact. energy: -1.981 local terms energy: -711.149947 where: bonds (distance) C4'-P energy: -125.876 bonds (distance) P-C4' energy: -116.544 flat angles C4'-P-C4' energy: -149.581 flat angles P-C4'-P energy: -96.443 tors. eta vs tors. theta energy: -222.705 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: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2488.784657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.784657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.784657 (E_RNA) where: Base-Base interactions energy: -1763.314 where: short stacking energy: -716.500 Base-Backbone interact. energy: -0.521 local terms energy: -724.949324 where: bonds (distance) C4'-P energy: -117.706 bonds (distance) P-C4' energy: -114.896 flat angles C4'-P-C4' energy: -165.152 flat angles P-C4'-P energy: -109.380 tors. eta vs tors. theta energy: -217.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2449.278543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.278543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.278543 (E_RNA) where: Base-Base interactions energy: -1746.096 where: short stacking energy: -701.658 Base-Backbone interact. energy: -1.907 local terms energy: -701.274989 where: bonds (distance) C4'-P energy: -120.931 bonds (distance) P-C4' energy: -122.953 flat angles C4'-P-C4' energy: -144.700 flat angles P-C4'-P energy: -98.653 tors. eta vs tors. theta energy: -214.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2314.946461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.946461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.946461 (E_RNA) where: Base-Base interactions energy: -1629.884 where: short stacking energy: -660.157 Base-Backbone interact. energy: -1.819 local terms energy: -683.243789 where: bonds (distance) C4'-P energy: -113.083 bonds (distance) P-C4' energy: -130.181 flat angles C4'-P-C4' energy: -133.593 flat angles P-C4'-P energy: -101.714 tors. eta vs tors. theta energy: -204.673 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: 2 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2166.428346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.428346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.428346 (E_RNA) where: Base-Base interactions energy: -1529.326 where: short stacking energy: -627.799 Base-Backbone interact. energy: 0.907 local terms energy: -638.009807 where: bonds (distance) C4'-P energy: -118.877 bonds (distance) P-C4' energy: -111.429 flat angles C4'-P-C4' energy: -130.617 flat angles P-C4'-P energy: -86.409 tors. eta vs tors. theta energy: -190.679 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: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -2098.860397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.860397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.860397 (E_RNA) where: Base-Base interactions energy: -1477.524 where: short stacking energy: -620.040 Base-Backbone interact. energy: 1.091 local terms energy: -622.427538 where: bonds (distance) C4'-P energy: -113.372 bonds (distance) P-C4' energy: -110.525 flat angles C4'-P-C4' energy: -127.996 flat angles P-C4'-P energy: -85.997 tors. eta vs tors. theta energy: -184.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1558.782404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.782404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.782404 (E_RNA) where: Base-Base interactions energy: -1067.640 where: short stacking energy: -433.054 Base-Backbone interact. energy: -0.976 local terms energy: -490.165705 where: bonds (distance) C4'-P energy: -107.515 bonds (distance) P-C4' energy: -108.396 flat angles C4'-P-C4' energy: -108.647 flat angles P-C4'-P energy: -72.750 tors. eta vs tors. theta energy: -92.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -965.227415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.227415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.227415 (E_RNA) where: Base-Base interactions energy: -573.728 where: short stacking energy: -268.271 Base-Backbone interact. energy: 0.115 local terms energy: -391.614172 where: bonds (distance) C4'-P energy: -90.172 bonds (distance) P-C4' energy: -113.300 flat angles C4'-P-C4' energy: -97.838 flat angles P-C4'-P energy: -63.601 tors. eta vs tors. theta energy: -26.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2718.831632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.831632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.831632 (E_RNA) where: Base-Base interactions energy: -1951.128 where: short stacking energy: -784.870 Base-Backbone interact. energy: -3.901 local terms energy: -763.802760 where: bonds (distance) C4'-P energy: -123.632 bonds (distance) P-C4' energy: -144.393 flat angles C4'-P-C4' energy: -157.158 flat angles P-C4'-P energy: -105.174 tors. eta vs tors. theta energy: -233.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2640.881484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.881484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.881484 (E_RNA) where: Base-Base interactions energy: -1860.412 where: short stacking energy: -769.620 Base-Backbone interact. energy: -0.205 local terms energy: -780.264491 where: bonds (distance) C4'-P energy: -127.916 bonds (distance) P-C4' energy: -140.227 flat angles C4'-P-C4' energy: -165.331 flat angles P-C4'-P energy: -109.435 tors. eta vs tors. theta energy: -237.355 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: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2531.570806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.570806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.570806 (E_RNA) where: Base-Base interactions energy: -1787.004 where: short stacking energy: -723.785 Base-Backbone interact. energy: -2.108 local terms energy: -742.458239 where: bonds (distance) C4'-P energy: -135.861 bonds (distance) P-C4' energy: -130.869 flat angles C4'-P-C4' energy: -163.033 flat angles P-C4'-P energy: -91.413 tors. eta vs tors. theta energy: -221.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2509.876192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.876192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.876192 (E_RNA) where: Base-Base interactions energy: -1763.170 where: short stacking energy: -713.302 Base-Backbone interact. energy: -0.856 local terms energy: -745.850208 where: bonds (distance) C4'-P energy: -128.911 bonds (distance) P-C4' energy: -127.455 flat angles C4'-P-C4' energy: -153.600 flat angles P-C4'-P energy: -109.856 tors. eta vs tors. theta energy: -226.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2415.958203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.958203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.958203 (E_RNA) where: Base-Base interactions energy: -1715.712 where: short stacking energy: -701.280 Base-Backbone interact. energy: -0.700 local terms energy: -699.545961 where: bonds (distance) C4'-P energy: -109.184 bonds (distance) P-C4' energy: -135.035 flat angles C4'-P-C4' energy: -147.970 flat angles P-C4'-P energy: -91.710 tors. eta vs tors. theta energy: -215.647 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: 6, replica: 4 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2276.107143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.107143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.107143 (E_RNA) where: Base-Base interactions energy: -1628.096 where: short stacking energy: -677.921 Base-Backbone interact. energy: -2.556 local terms energy: -645.455127 where: bonds (distance) C4'-P energy: -94.604 bonds (distance) P-C4' energy: -101.822 flat angles C4'-P-C4' energy: -145.029 flat angles P-C4'-P energy: -91.110 tors. eta vs tors. theta energy: -212.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2159.204811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.204811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.204811 (E_RNA) where: Base-Base interactions energy: -1531.602 where: short stacking energy: -640.211 Base-Backbone interact. energy: -2.641 local terms energy: -624.961500 where: bonds (distance) C4'-P energy: -106.043 bonds (distance) P-C4' energy: -101.922 flat angles C4'-P-C4' energy: -132.752 flat angles P-C4'-P energy: -90.737 tors. eta vs tors. theta energy: -193.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -2049.954137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.954137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.954137 (E_RNA) where: Base-Base interactions energy: -1443.310 where: short stacking energy: -579.339 Base-Backbone interact. energy: -2.429 local terms energy: -604.214823 where: bonds (distance) C4'-P energy: -120.396 bonds (distance) P-C4' energy: -111.958 flat angles C4'-P-C4' energy: -120.314 flat angles P-C4'-P energy: -77.392 tors. eta vs tors. theta energy: -174.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1568.797333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.797333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.797333 (E_RNA) where: Base-Base interactions energy: -1105.588 where: short stacking energy: -460.215 Base-Backbone interact. energy: 4.306 local terms energy: -467.515537 where: bonds (distance) C4'-P energy: -110.958 bonds (distance) P-C4' energy: -105.082 flat angles C4'-P-C4' energy: -110.966 flat angles P-C4'-P energy: -55.912 tors. eta vs tors. theta energy: -84.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -960.508399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.508399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.508399 (E_RNA) where: Base-Base interactions energy: -588.960 where: short stacking energy: -268.225 Base-Backbone interact. energy: 5.035 local terms energy: -376.583215 where: bonds (distance) C4'-P energy: -100.353 bonds (distance) P-C4' energy: -96.730 flat angles C4'-P-C4' energy: -92.062 flat angles P-C4'-P energy: -58.280 tors. eta vs tors. theta energy: -29.159 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: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2722.460554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.460554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.460554 (E_RNA) where: Base-Base interactions energy: -1946.932 where: short stacking energy: -787.282 Base-Backbone interact. energy: -2.723 local terms energy: -772.805586 where: bonds (distance) C4'-P energy: -124.430 bonds (distance) P-C4' energy: -139.809 flat angles C4'-P-C4' energy: -158.828 flat angles P-C4'-P energy: -104.486 tors. eta vs tors. theta energy: -245.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2648.475878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.475878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.475878 (E_RNA) where: Base-Base interactions energy: -1899.617 where: short stacking energy: -762.280 Base-Backbone interact. energy: -2.451 local terms energy: -746.407263 where: bonds (distance) C4'-P energy: -130.485 bonds (distance) P-C4' energy: -138.990 flat angles C4'-P-C4' energy: -148.659 flat angles P-C4'-P energy: -95.934 tors. eta vs tors. theta energy: -232.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2494.002230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.002230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.002230 (E_RNA) where: Base-Base interactions energy: -1775.647 where: short stacking energy: -716.065 Base-Backbone interact. energy: -0.536 local terms energy: -717.819085 where: bonds (distance) C4'-P energy: -121.376 bonds (distance) P-C4' energy: -130.126 flat angles C4'-P-C4' energy: -153.686 flat angles P-C4'-P energy: -101.215 tors. eta vs tors. theta energy: -211.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2498.688436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.688436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.688436 (E_RNA) where: Base-Base interactions energy: -1758.899 where: short stacking energy: -715.912 Base-Backbone interact. energy: 1.049 local terms energy: -740.838447 where: bonds (distance) C4'-P energy: -136.887 bonds (distance) P-C4' energy: -107.524 flat angles C4'-P-C4' energy: -162.753 flat angles P-C4'-P energy: -109.915 tors. eta vs tors. theta energy: -223.759 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: 9 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2386.859204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.859204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.859204 (E_RNA) where: Base-Base interactions energy: -1729.165 where: short stacking energy: -695.025 Base-Backbone interact. energy: -0.462 local terms energy: -657.231694 where: bonds (distance) C4'-P energy: -107.542 bonds (distance) P-C4' energy: -116.407 flat angles C4'-P-C4' energy: -145.152 flat angles P-C4'-P energy: -81.932 tors. eta vs tors. theta energy: -206.199 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: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2342.140821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.140821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.140821 (E_RNA) where: Base-Base interactions energy: -1661.511 where: short stacking energy: -697.874 Base-Backbone interact. energy: -1.313 local terms energy: -679.316469 where: bonds (distance) C4'-P energy: -106.423 bonds (distance) P-C4' energy: -117.760 flat angles C4'-P-C4' energy: -140.474 flat angles P-C4'-P energy: -97.737 tors. eta vs tors. theta energy: -216.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -2214.614942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.614942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.614942 (E_RNA) where: Base-Base interactions energy: -1550.700 where: short stacking energy: -656.305 Base-Backbone interact. energy: -1.424 local terms energy: -662.490639 where: bonds (distance) C4'-P energy: -125.078 bonds (distance) P-C4' energy: -129.560 flat angles C4'-P-C4' energy: -120.993 flat angles P-C4'-P energy: -78.495 tors. eta vs tors. theta energy: -208.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -2016.007527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.007527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.007527 (E_RNA) where: Base-Base interactions energy: -1449.198 where: short stacking energy: -606.704 Base-Backbone interact. energy: -1.405 local terms energy: -565.404621 where: bonds (distance) C4'-P energy: -117.251 bonds (distance) P-C4' energy: -83.489 flat angles C4'-P-C4' energy: -124.807 flat angles P-C4'-P energy: -59.256 tors. eta vs tors. theta energy: -180.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1659.487838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.487838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.487838 (E_RNA) where: Base-Base interactions energy: -1149.046 where: short stacking energy: -472.438 Base-Backbone interact. energy: 0.163 local terms energy: -510.605217 where: bonds (distance) C4'-P energy: -109.478 bonds (distance) P-C4' energy: -103.878 flat angles C4'-P-C4' energy: -112.177 flat angles P-C4'-P energy: -78.460 tors. eta vs tors. theta energy: -106.612 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: 6 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1010.760051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.760051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.760051 (E_RNA) where: Base-Base interactions energy: -630.058 where: short stacking energy: -282.620 Base-Backbone interact. energy: 0.780 local terms energy: -381.481927 where: bonds (distance) C4'-P energy: -106.767 bonds (distance) P-C4' energy: -97.582 flat angles C4'-P-C4' energy: -103.978 flat angles P-C4'-P energy: -51.897 tors. eta vs tors. theta energy: -21.258 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: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2720.524125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.524125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.524125 (E_RNA) where: Base-Base interactions energy: -1953.347 where: short stacking energy: -784.789 Base-Backbone interact. energy: -3.493 local terms energy: -763.684440 where: bonds (distance) C4'-P energy: -129.778 bonds (distance) P-C4' energy: -132.437 flat angles C4'-P-C4' energy: -160.280 flat angles P-C4'-P energy: -98.141 tors. eta vs tors. theta energy: -243.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2644.969873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.969873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.969873 (E_RNA) where: Base-Base interactions energy: -1882.559 where: short stacking energy: -777.893 Base-Backbone interact. energy: -1.517 local terms energy: -760.894010 where: bonds (distance) C4'-P energy: -129.922 bonds (distance) P-C4' energy: -138.553 flat angles C4'-P-C4' energy: -165.022 flat angles P-C4'-P energy: -96.731 tors. eta vs tors. theta energy: -230.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2509.873521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.873521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.873521 (E_RNA) where: Base-Base interactions energy: -1797.697 where: short stacking energy: -745.857 Base-Backbone interact. energy: -0.797 local terms energy: -711.379808 where: bonds (distance) C4'-P energy: -118.754 bonds (distance) P-C4' energy: -110.213 flat angles C4'-P-C4' energy: -147.133 flat angles P-C4'-P energy: -111.354 tors. eta vs tors. theta energy: -223.926 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: 10 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2481.774010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.774010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.774010 (E_RNA) where: Base-Base interactions energy: -1752.742 where: short stacking energy: -749.620 Base-Backbone interact. energy: -2.088 local terms energy: -726.944259 where: bonds (distance) C4'-P energy: -127.339 bonds (distance) P-C4' energy: -100.273 flat angles C4'-P-C4' energy: -158.483 flat angles P-C4'-P energy: -109.128 tors. eta vs tors. theta energy: -231.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2358.853277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.853277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.853277 (E_RNA) where: Base-Base interactions energy: -1697.264 where: short stacking energy: -686.509 Base-Backbone interact. energy: 0.758 local terms energy: -662.348160 where: bonds (distance) C4'-P energy: -117.232 bonds (distance) P-C4' energy: -113.821 flat angles C4'-P-C4' energy: -144.170 flat angles P-C4'-P energy: -88.826 tors. eta vs tors. theta energy: -198.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2352.910875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.910875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.910875 (E_RNA) where: Base-Base interactions energy: -1680.101 where: short stacking energy: -662.292 Base-Backbone interact. energy: -0.292 local terms energy: -672.518061 where: bonds (distance) C4'-P energy: -111.774 bonds (distance) P-C4' energy: -120.893 flat angles C4'-P-C4' energy: -129.122 flat angles P-C4'-P energy: -99.426 tors. eta vs tors. theta energy: -211.303 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: 2 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2161.007912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.007912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.007912 (E_RNA) where: Base-Base interactions energy: -1510.066 where: short stacking energy: -628.245 Base-Backbone interact. energy: 1.437 local terms energy: -652.378271 where: bonds (distance) C4'-P energy: -108.768 bonds (distance) P-C4' energy: -113.096 flat angles C4'-P-C4' energy: -137.824 flat angles P-C4'-P energy: -101.064 tors. eta vs tors. theta energy: -191.626 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: 5 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1959.882868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.882868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.882868 (E_RNA) where: Base-Base interactions energy: -1352.051 where: short stacking energy: -548.479 Base-Backbone interact. energy: 8.440 local terms energy: -616.272367 where: bonds (distance) C4'-P energy: -129.480 bonds (distance) P-C4' energy: -113.506 flat angles C4'-P-C4' energy: -139.928 flat angles P-C4'-P energy: -75.674 tors. eta vs tors. theta energy: -157.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1616.496309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.496309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.496309 (E_RNA) where: Base-Base interactions energy: -1111.419 where: short stacking energy: -459.514 Base-Backbone interact. energy: -2.552 local terms energy: -502.525048 where: bonds (distance) C4'-P energy: -99.127 bonds (distance) P-C4' energy: -110.920 flat angles C4'-P-C4' energy: -117.808 flat angles P-C4'-P energy: -81.356 tors. eta vs tors. theta energy: -93.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -890.364347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.364347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.364347 (E_RNA) where: Base-Base interactions energy: -508.638 where: short stacking energy: -236.961 Base-Backbone interact. energy: -1.497 local terms energy: -380.230128 where: bonds (distance) C4'-P energy: -107.499 bonds (distance) P-C4' energy: -96.604 flat angles C4'-P-C4' energy: -102.186 flat angles P-C4'-P energy: -62.362 tors. eta vs tors. theta energy: -11.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2697.319718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.319718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.319718 (E_RNA) where: Base-Base interactions energy: -1924.211 where: short stacking energy: -759.127 Base-Backbone interact. energy: -2.338 local terms energy: -770.770921 where: bonds (distance) C4'-P energy: -147.392 bonds (distance) P-C4' energy: -132.567 flat angles C4'-P-C4' energy: -154.926 flat angles P-C4'-P energy: -103.257 tors. eta vs tors. theta energy: -232.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2636.242751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.242751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.242751 (E_RNA) where: Base-Base interactions energy: -1875.544 where: short stacking energy: -779.463 Base-Backbone interact. energy: -0.792 local terms energy: -759.906799 where: bonds (distance) C4'-P energy: -127.558 bonds (distance) P-C4' energy: -127.401 flat angles C4'-P-C4' energy: -151.822 flat angles P-C4'-P energy: -112.027 tors. eta vs tors. theta energy: -241.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2526.202152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.202152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.202152 (E_RNA) where: Base-Base interactions energy: -1787.424 where: short stacking energy: -739.687 Base-Backbone interact. energy: 0.139 local terms energy: -738.916941 where: bonds (distance) C4'-P energy: -133.599 bonds (distance) P-C4' energy: -122.435 flat angles C4'-P-C4' energy: -155.129 flat angles P-C4'-P energy: -97.286 tors. eta vs tors. theta energy: -230.467 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: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2460.903096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.903096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.903096 (E_RNA) where: Base-Base interactions energy: -1745.173 where: short stacking energy: -703.252 Base-Backbone interact. energy: 0.187 local terms energy: -715.917690 where: bonds (distance) C4'-P energy: -110.883 bonds (distance) P-C4' energy: -128.049 flat angles C4'-P-C4' energy: -159.838 flat angles P-C4'-P energy: -101.188 tors. eta vs tors. theta energy: -215.961 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: 9 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2417.428943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.428943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.428943 (E_RNA) where: Base-Base interactions energy: -1709.435 where: short stacking energy: -710.451 Base-Backbone interact. energy: -0.302 local terms energy: -707.691861 where: bonds (distance) C4'-P energy: -118.974 bonds (distance) P-C4' energy: -111.824 flat angles C4'-P-C4' energy: -148.556 flat angles P-C4'-P energy: -112.306 tors. eta vs tors. theta energy: -216.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2360.353046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.353046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.353046 (E_RNA) where: Base-Base interactions energy: -1685.272 where: short stacking energy: -660.903 Base-Backbone interact. energy: -0.193 local terms energy: -674.887643 where: bonds (distance) C4'-P energy: -129.214 bonds (distance) P-C4' energy: -113.564 flat angles C4'-P-C4' energy: -144.840 flat angles P-C4'-P energy: -89.269 tors. eta vs tors. theta energy: -198.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2170.714394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.714394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.714394 (E_RNA) where: Base-Base interactions energy: -1522.006 where: short stacking energy: -634.732 Base-Backbone interact. energy: -1.644 local terms energy: -647.064823 where: bonds (distance) C4'-P energy: -116.962 bonds (distance) P-C4' energy: -121.132 flat angles C4'-P-C4' energy: -136.197 flat angles P-C4'-P energy: -74.474 tors. eta vs tors. theta energy: -198.301 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: 5 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1979.199656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.199656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.199656 (E_RNA) where: Base-Base interactions energy: -1396.827 where: short stacking energy: -564.649 Base-Backbone interact. energy: -2.264 local terms energy: -580.108470 where: bonds (distance) C4'-P energy: -105.013 bonds (distance) P-C4' energy: -106.253 flat angles C4'-P-C4' energy: -129.643 flat angles P-C4'-P energy: -70.881 tors. eta vs tors. theta energy: -168.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1613.728234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.728234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.728234 (E_RNA) where: Base-Base interactions energy: -1124.925 where: short stacking energy: -484.772 Base-Backbone interact. energy: 4.159 local terms energy: -492.962353 where: bonds (distance) C4'-P energy: -78.204 bonds (distance) P-C4' energy: -99.767 flat angles C4'-P-C4' energy: -116.185 flat angles P-C4'-P energy: -89.654 tors. eta vs tors. theta energy: -109.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -918.302381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.302381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.302381 (E_RNA) where: Base-Base interactions energy: -534.450 where: short stacking energy: -258.487 Base-Backbone interact. energy: 0.262 local terms energy: -384.114073 where: bonds (distance) C4'-P energy: -100.941 bonds (distance) P-C4' energy: -111.685 flat angles C4'-P-C4' energy: -90.343 flat angles P-C4'-P energy: -62.014 tors. eta vs tors. theta energy: -19.131 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: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2712.335889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.335889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.335889 (E_RNA) where: Base-Base interactions energy: -1940.072 where: short stacking energy: -780.192 Base-Backbone interact. energy: 0.299 local terms energy: -772.563409 where: bonds (distance) C4'-P energy: -123.009 bonds (distance) P-C4' energy: -147.926 flat angles C4'-P-C4' energy: -158.272 flat angles P-C4'-P energy: -106.358 tors. eta vs tors. theta energy: -236.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2638.444409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.444409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.444409 (E_RNA) where: Base-Base interactions energy: -1872.244 where: short stacking energy: -764.905 Base-Backbone interact. energy: -2.436 local terms energy: -763.764351 where: bonds (distance) C4'-P energy: -118.049 bonds (distance) P-C4' energy: -131.034 flat angles C4'-P-C4' energy: -159.042 flat angles P-C4'-P energy: -119.876 tors. eta vs tors. theta energy: -235.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2525.628723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.628723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.628723 (E_RNA) where: Base-Base interactions energy: -1789.089 where: short stacking energy: -723.374 Base-Backbone interact. energy: -2.293 local terms energy: -734.246479 where: bonds (distance) C4'-P energy: -113.989 bonds (distance) P-C4' energy: -118.796 flat angles C4'-P-C4' energy: -161.971 flat angles P-C4'-P energy: -110.522 tors. eta vs tors. theta energy: -228.969 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: 10 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2463.883757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.883757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.883757 (E_RNA) where: Base-Base interactions energy: -1744.963 where: short stacking energy: -679.545 Base-Backbone interact. energy: 0.564 local terms energy: -719.485092 where: bonds (distance) C4'-P energy: -126.319 bonds (distance) P-C4' energy: -131.375 flat angles C4'-P-C4' energy: -157.300 flat angles P-C4'-P energy: -98.439 tors. eta vs tors. theta energy: -206.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2395.813043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.813043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.813043 (E_RNA) where: Base-Base interactions energy: -1727.101 where: short stacking energy: -702.339 Base-Backbone interact. energy: -0.128 local terms energy: -668.584097 where: bonds (distance) C4'-P energy: -111.626 bonds (distance) P-C4' energy: -112.602 flat angles C4'-P-C4' energy: -139.179 flat angles P-C4'-P energy: -100.854 tors. eta vs tors. theta energy: -204.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2354.850767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.850767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.850767 (E_RNA) where: Base-Base interactions energy: -1692.960 where: short stacking energy: -668.684 Base-Backbone interact. energy: 0.874 local terms energy: -662.764718 where: bonds (distance) C4'-P energy: -115.001 bonds (distance) P-C4' energy: -106.242 flat angles C4'-P-C4' energy: -142.413 flat angles P-C4'-P energy: -96.042 tors. eta vs tors. theta energy: -203.067 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: 2 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2140.432222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.432222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.432222 (E_RNA) where: Base-Base interactions energy: -1541.060 where: short stacking energy: -625.001 Base-Backbone interact. energy: -1.013 local terms energy: -598.359401 where: bonds (distance) C4'-P energy: -102.061 bonds (distance) P-C4' energy: -97.591 flat angles C4'-P-C4' energy: -138.383 flat angles P-C4'-P energy: -80.686 tors. eta vs tors. theta energy: -179.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1951.370584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.370584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.370584 (E_RNA) where: Base-Base interactions energy: -1378.288 where: short stacking energy: -538.818 Base-Backbone interact. energy: 0.771 local terms energy: -573.853366 where: bonds (distance) C4'-P energy: -100.767 bonds (distance) P-C4' energy: -124.480 flat angles C4'-P-C4' energy: -105.574 flat angles P-C4'-P energy: -96.713 tors. eta vs tors. theta energy: -146.320 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: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1711.399536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.399536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.399536 (E_RNA) where: Base-Base interactions energy: -1188.013 where: short stacking energy: -518.064 Base-Backbone interact. energy: -0.671 local terms energy: -522.715595 where: bonds (distance) C4'-P energy: -104.672 bonds (distance) P-C4' energy: -127.610 flat angles C4'-P-C4' energy: -110.100 flat angles P-C4'-P energy: -53.481 tors. eta vs tors. theta energy: -126.853 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: 6 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -992.678079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.678079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.678079 (E_RNA) where: Base-Base interactions energy: -590.933 where: short stacking energy: -288.351 Base-Backbone interact. energy: 1.808 local terms energy: -403.552258 where: bonds (distance) C4'-P energy: -85.230 bonds (distance) P-C4' energy: -109.471 flat angles C4'-P-C4' energy: -104.145 flat angles P-C4'-P energy: -69.633 tors. eta vs tors. theta energy: -35.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2742.404871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.404871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.404871 (E_RNA) where: Base-Base interactions energy: -1989.440 where: short stacking energy: -785.024 Base-Backbone interact. energy: -2.064 local terms energy: -750.900861 where: bonds (distance) C4'-P energy: -130.251 bonds (distance) P-C4' energy: -118.155 flat angles C4'-P-C4' energy: -162.591 flat angles P-C4'-P energy: -104.815 tors. eta vs tors. theta energy: -235.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2620.611691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.611691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.611691 (E_RNA) where: Base-Base interactions energy: -1868.031 where: short stacking energy: -773.796 Base-Backbone interact. energy: -1.607 local terms energy: -750.973744 where: bonds (distance) C4'-P energy: -124.922 bonds (distance) P-C4' energy: -125.742 flat angles C4'-P-C4' energy: -159.024 flat angles P-C4'-P energy: -107.978 tors. eta vs tors. theta energy: -233.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2519.751663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.751663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.751663 (E_RNA) where: Base-Base interactions energy: -1755.511 where: short stacking energy: -719.616 Base-Backbone interact. energy: -0.959 local terms energy: -763.281619 where: bonds (distance) C4'-P energy: -120.538 bonds (distance) P-C4' energy: -141.086 flat angles C4'-P-C4' energy: -165.230 flat angles P-C4'-P energy: -105.228 tors. eta vs tors. theta energy: -231.200 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: 10 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2497.998448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.998448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.998448 (E_RNA) where: Base-Base interactions energy: -1779.940 where: short stacking energy: -728.740 Base-Backbone interact. energy: 0.200 local terms energy: -718.258204 where: bonds (distance) C4'-P energy: -113.830 bonds (distance) P-C4' energy: -127.888 flat angles C4'-P-C4' energy: -154.208 flat angles P-C4'-P energy: -104.654 tors. eta vs tors. theta energy: -217.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2389.648646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.648646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.648646 (E_RNA) where: Base-Base interactions energy: -1679.291 where: short stacking energy: -703.021 Base-Backbone interact. energy: 0.013 local terms energy: -710.371082 where: bonds (distance) C4'-P energy: -118.796 bonds (distance) P-C4' energy: -121.698 flat angles C4'-P-C4' energy: -156.324 flat angles P-C4'-P energy: -95.968 tors. eta vs tors. theta energy: -217.585 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: 411 Temperature: 1.150000 Total energy: -2305.913085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.913085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.913085 (E_RNA) where: Base-Base interactions energy: -1667.464 where: short stacking energy: -676.057 Base-Backbone interact. energy: 5.135 local terms energy: -643.584406 where: bonds (distance) C4'-P energy: -104.077 bonds (distance) P-C4' energy: -90.686 flat angles C4'-P-C4' energy: -150.111 flat angles P-C4'-P energy: -97.725 tors. eta vs tors. theta energy: -200.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2181.716188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.716188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.716188 (E_RNA) where: Base-Base interactions energy: -1556.681 where: short stacking energy: -630.129 Base-Backbone interact. energy: 2.325 local terms energy: -627.360595 where: bonds (distance) C4'-P energy: -112.441 bonds (distance) P-C4' energy: -120.067 flat angles C4'-P-C4' energy: -130.455 flat angles P-C4'-P energy: -83.351 tors. eta vs tors. theta energy: -181.047 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: 8, replica: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -2019.272222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.272222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.272222 (E_RNA) where: Base-Base interactions energy: -1437.206 where: short stacking energy: -583.648 Base-Backbone interact. energy: -0.973 local terms energy: -581.093182 where: bonds (distance) C4'-P energy: -99.531 bonds (distance) P-C4' energy: -107.242 flat angles C4'-P-C4' energy: -121.753 flat angles P-C4'-P energy: -77.533 tors. eta vs tors. theta energy: -175.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1756.304419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.304419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.304419 (E_RNA) where: Base-Base interactions energy: -1233.576 where: short stacking energy: -493.871 Base-Backbone interact. energy: -2.072 local terms energy: -520.656479 where: bonds (distance) C4'-P energy: -87.254 bonds (distance) P-C4' energy: -109.477 flat angles C4'-P-C4' energy: -105.901 flat angles P-C4'-P energy: -86.120 tors. eta vs tors. theta energy: -131.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -940.921903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.921903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.921903 (E_RNA) where: Base-Base interactions energy: -555.052 where: short stacking energy: -269.087 Base-Backbone interact. energy: 2.559 local terms energy: -388.429117 where: bonds (distance) C4'-P energy: -96.386 bonds (distance) P-C4' energy: -116.492 flat angles C4'-P-C4' energy: -99.955 flat angles P-C4'-P energy: -59.869 tors. eta vs tors. theta energy: -15.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2715.259255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.259255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.259255 (E_RNA) where: Base-Base interactions energy: -1929.523 where: short stacking energy: -772.623 Base-Backbone interact. energy: -2.184 local terms energy: -783.551930 where: bonds (distance) C4'-P energy: -151.488 bonds (distance) P-C4' energy: -131.580 flat angles C4'-P-C4' energy: -158.035 flat angles P-C4'-P energy: -106.313 tors. eta vs tors. theta energy: -236.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2665.904405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.904405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.904405 (E_RNA) where: Base-Base interactions energy: -1894.275 where: short stacking energy: -796.615 Base-Backbone interact. energy: -1.367 local terms energy: -770.262898 where: bonds (distance) C4'-P energy: -132.061 bonds (distance) P-C4' energy: -130.266 flat angles C4'-P-C4' energy: -154.852 flat angles P-C4'-P energy: -110.668 tors. eta vs tors. theta energy: -242.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2522.760640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.760640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.760640 (E_RNA) where: Base-Base interactions energy: -1796.616 where: short stacking energy: -747.396 Base-Backbone interact. energy: -1.319 local terms energy: -724.824943 where: bonds (distance) C4'-P energy: -120.047 bonds (distance) P-C4' energy: -126.930 flat angles C4'-P-C4' energy: -159.672 flat angles P-C4'-P energy: -92.731 tors. eta vs tors. theta energy: -225.445 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: 412 Temperature: 1.050000 Total energy: -2497.981397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.981397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.981397 (E_RNA) where: Base-Base interactions energy: -1784.844 where: short stacking energy: -720.089 Base-Backbone interact. energy: -0.546 local terms energy: -712.590686 where: bonds (distance) C4'-P energy: -120.953 bonds (distance) P-C4' energy: -122.907 flat angles C4'-P-C4' energy: -149.800 flat angles P-C4'-P energy: -102.467 tors. eta vs tors. theta energy: -216.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2396.265772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.265772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.265772 (E_RNA) where: Base-Base interactions energy: -1682.354 where: short stacking energy: -692.673 Base-Backbone interact. energy: -3.081 local terms energy: -710.830663 where: bonds (distance) C4'-P energy: -119.959 bonds (distance) P-C4' energy: -138.110 flat angles C4'-P-C4' energy: -149.469 flat angles P-C4'-P energy: -97.091 tors. eta vs tors. theta energy: -206.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2354.532477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.532477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.532477 (E_RNA) where: Base-Base interactions energy: -1668.596 where: short stacking energy: -673.451 Base-Backbone interact. energy: 0.063 local terms energy: -685.999029 where: bonds (distance) C4'-P energy: -130.940 bonds (distance) P-C4' energy: -119.050 flat angles C4'-P-C4' energy: -149.063 flat angles P-C4'-P energy: -90.113 tors. eta vs tors. theta energy: -196.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2128.978983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.978983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.978983 (E_RNA) where: Base-Base interactions energy: -1514.446 where: short stacking energy: -598.142 Base-Backbone interact. energy: 5.892 local terms energy: -620.425473 where: bonds (distance) C4'-P energy: -106.940 bonds (distance) P-C4' energy: -126.177 flat angles C4'-P-C4' energy: -129.112 flat angles P-C4'-P energy: -79.957 tors. eta vs tors. theta energy: -178.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1996.045024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.045024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.045024 (E_RNA) where: Base-Base interactions energy: -1386.425 where: short stacking energy: -557.283 Base-Backbone interact. energy: 0.028 local terms energy: -609.647686 where: bonds (distance) C4'-P energy: -102.485 bonds (distance) P-C4' energy: -97.208 flat angles C4'-P-C4' energy: -141.422 flat angles P-C4'-P energy: -84.299 tors. eta vs tors. theta energy: -184.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1740.759099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.759099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.759099 (E_RNA) where: Base-Base interactions energy: -1222.542 where: short stacking energy: -487.132 Base-Backbone interact. energy: -0.614 local terms energy: -517.602484 where: bonds (distance) C4'-P energy: -94.481 bonds (distance) P-C4' energy: -120.831 flat angles C4'-P-C4' energy: -112.580 flat angles P-C4'-P energy: -78.126 tors. eta vs tors. theta energy: -111.583 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: 6 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -918.097255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.097255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.097255 (E_RNA) where: Base-Base interactions energy: -571.410 where: short stacking energy: -248.220 Base-Backbone interact. energy: -2.304 local terms energy: -344.383024 where: bonds (distance) C4'-P energy: -111.486 bonds (distance) P-C4' energy: -89.202 flat angles C4'-P-C4' energy: -78.846 flat angles P-C4'-P energy: -41.471 tors. eta vs tors. theta energy: -23.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2721.961521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.961521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.961521 (E_RNA) where: Base-Base interactions energy: -1958.721 where: short stacking energy: -763.706 Base-Backbone interact. energy: -3.692 local terms energy: -759.548088 where: bonds (distance) C4'-P energy: -115.234 bonds (distance) P-C4' energy: -147.057 flat angles C4'-P-C4' energy: -159.706 flat angles P-C4'-P energy: -113.067 tors. eta vs tors. theta energy: -224.483 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: 2, replica: 3 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2644.290994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.290994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.290994 (E_RNA) where: Base-Base interactions energy: -1922.649 where: short stacking energy: -796.827 Base-Backbone interact. energy: 2.066 local terms energy: -723.707281 where: bonds (distance) C4'-P energy: -115.048 bonds (distance) P-C4' energy: -122.999 flat angles C4'-P-C4' energy: -148.278 flat angles P-C4'-P energy: -97.594 tors. eta vs tors. theta energy: -239.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2540.616010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.616010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.616010 (E_RNA) where: Base-Base interactions energy: -1802.248 where: short stacking energy: -734.497 Base-Backbone interact. energy: -1.469 local terms energy: -736.898621 where: bonds (distance) C4'-P energy: -131.101 bonds (distance) P-C4' energy: -123.149 flat angles C4'-P-C4' energy: -153.967 flat angles P-C4'-P energy: -108.844 tors. eta vs tors. theta energy: -219.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2496.022115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.022115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.022115 (E_RNA) where: Base-Base interactions energy: -1785.813 where: short stacking energy: -714.503 Base-Backbone interact. energy: -0.629 local terms energy: -709.579712 where: bonds (distance) C4'-P energy: -120.016 bonds (distance) P-C4' energy: -131.230 flat angles C4'-P-C4' energy: -143.798 flat angles P-C4'-P energy: -99.431 tors. eta vs tors. theta energy: -215.105 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: 9 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2398.214338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.214338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.214338 (E_RNA) where: Base-Base interactions energy: -1697.940 where: short stacking energy: -689.251 Base-Backbone interact. energy: -2.869 local terms energy: -697.405616 where: bonds (distance) C4'-P energy: -118.259 bonds (distance) P-C4' energy: -118.294 flat angles C4'-P-C4' energy: -155.529 flat angles P-C4'-P energy: -89.606 tors. eta vs tors. theta energy: -215.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2338.794491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.794491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.794491 (E_RNA) where: Base-Base interactions energy: -1660.888 where: short stacking energy: -669.843 Base-Backbone interact. energy: 1.366 local terms energy: -679.272509 where: bonds (distance) C4'-P energy: -109.617 bonds (distance) P-C4' energy: -130.115 flat angles C4'-P-C4' energy: -128.085 flat angles P-C4'-P energy: -105.424 tors. eta vs tors. theta energy: -206.031 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: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2136.365347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.365347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.365347 (E_RNA) where: Base-Base interactions energy: -1486.077 where: short stacking energy: -592.108 Base-Backbone interact. energy: 1.170 local terms energy: -651.457596 where: bonds (distance) C4'-P energy: -114.186 bonds (distance) P-C4' energy: -119.425 flat angles C4'-P-C4' energy: -138.163 flat angles P-C4'-P energy: -95.420 tors. eta vs tors. theta energy: -184.264 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: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -2064.627877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.627877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.627877 (E_RNA) where: Base-Base interactions energy: -1434.349 where: short stacking energy: -579.225 Base-Backbone interact. energy: 1.491 local terms energy: -631.770763 where: bonds (distance) C4'-P energy: -115.013 bonds (distance) P-C4' energy: -109.101 flat angles C4'-P-C4' energy: -131.351 flat angles P-C4'-P energy: -92.337 tors. eta vs tors. theta energy: -183.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1778.681321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.681321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.681321 (E_RNA) where: Base-Base interactions energy: -1255.639 where: short stacking energy: -519.958 Base-Backbone interact. energy: 6.265 local terms energy: -529.307740 where: bonds (distance) C4'-P energy: -84.945 bonds (distance) P-C4' energy: -118.492 flat angles C4'-P-C4' energy: -120.081 flat angles P-C4'-P energy: -89.957 tors. eta vs tors. theta energy: -115.833 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: 6 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -942.410780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.410780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.410780 (E_RNA) where: Base-Base interactions energy: -567.431 where: short stacking energy: -250.307 Base-Backbone interact. energy: 0.951 local terms energy: -375.930698 where: bonds (distance) C4'-P energy: -90.779 bonds (distance) P-C4' energy: -121.437 flat angles C4'-P-C4' energy: -109.833 flat angles P-C4'-P energy: -49.420 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2711.007428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.007428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.007428 (E_RNA) where: Base-Base interactions energy: -1953.167 where: short stacking energy: -788.104 Base-Backbone interact. energy: -0.386 local terms energy: -757.454572 where: bonds (distance) C4'-P energy: -134.191 bonds (distance) P-C4' energy: -128.076 flat angles C4'-P-C4' energy: -155.055 flat angles P-C4'-P energy: -107.604 tors. eta vs tors. theta energy: -232.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2651.659785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.659785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.659785 (E_RNA) where: Base-Base interactions energy: -1905.837 where: short stacking energy: -780.810 Base-Backbone interact. energy: -1.876 local terms energy: -743.946780 where: bonds (distance) C4'-P energy: -124.582 bonds (distance) P-C4' energy: -126.824 flat angles C4'-P-C4' energy: -153.108 flat angles P-C4'-P energy: -109.877 tors. eta vs tors. theta energy: -229.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2573.905184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.905184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.905184 (E_RNA) where: Base-Base interactions energy: -1821.330 where: short stacking energy: -733.618 Base-Backbone interact. energy: -0.370 local terms energy: -752.204384 where: bonds (distance) C4'-P energy: -135.397 bonds (distance) P-C4' energy: -133.236 flat angles C4'-P-C4' energy: -153.248 flat angles P-C4'-P energy: -108.965 tors. eta vs tors. theta energy: -221.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2498.689457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.689457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.689457 (E_RNA) where: Base-Base interactions energy: -1779.472 where: short stacking energy: -727.147 Base-Backbone interact. energy: -0.867 local terms energy: -718.350730 where: bonds (distance) C4'-P energy: -111.827 bonds (distance) P-C4' energy: -124.556 flat angles C4'-P-C4' energy: -151.948 flat angles P-C4'-P energy: -110.900 tors. eta vs tors. theta energy: -219.120 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: 9 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2384.982535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.982535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.982535 (E_RNA) where: Base-Base interactions energy: -1716.019 where: short stacking energy: -695.350 Base-Backbone interact. energy: -0.109 local terms energy: -668.854683 where: bonds (distance) C4'-P energy: -121.106 bonds (distance) P-C4' energy: -116.094 flat angles C4'-P-C4' energy: -134.579 flat angles P-C4'-P energy: -92.200 tors. eta vs tors. theta energy: -204.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2323.704688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.704688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.704688 (E_RNA) where: Base-Base interactions energy: -1635.175 where: short stacking energy: -674.700 Base-Backbone interact. energy: -1.578 local terms energy: -686.951830 where: bonds (distance) C4'-P energy: -125.570 bonds (distance) P-C4' energy: -106.149 flat angles C4'-P-C4' energy: -144.157 flat angles P-C4'-P energy: -103.941 tors. eta vs tors. theta energy: -207.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2138.644378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.644378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.644378 (E_RNA) where: Base-Base interactions energy: -1523.701 where: short stacking energy: -613.607 Base-Backbone interact. energy: 2.039 local terms energy: -616.981810 where: bonds (distance) C4'-P energy: -98.418 bonds (distance) P-C4' energy: -109.867 flat angles C4'-P-C4' energy: -136.251 flat angles P-C4'-P energy: -79.524 tors. eta vs tors. theta energy: -192.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -2037.816403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.816403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.816403 (E_RNA) where: Base-Base interactions energy: -1398.409 where: short stacking energy: -577.428 Base-Backbone interact. energy: 2.033 local terms energy: -641.440303 where: bonds (distance) C4'-P energy: -123.634 bonds (distance) P-C4' energy: -116.287 flat angles C4'-P-C4' energy: -138.469 flat angles P-C4'-P energy: -78.250 tors. eta vs tors. theta energy: -184.800 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: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1751.837604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.837604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.837604 (E_RNA) where: Base-Base interactions energy: -1208.179 where: short stacking energy: -471.541 Base-Backbone interact. energy: 0.405 local terms energy: -544.063310 where: bonds (distance) C4'-P energy: -105.285 bonds (distance) P-C4' energy: -127.518 flat angles C4'-P-C4' energy: -117.363 flat angles P-C4'-P energy: -69.611 tors. eta vs tors. theta energy: -124.286 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: 10, replica: 6 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -940.220586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.220586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.220586 (E_RNA) where: Base-Base interactions energy: -585.616 where: short stacking energy: -262.905 Base-Backbone interact. energy: -2.228 local terms energy: -352.377075 where: bonds (distance) C4'-P energy: -99.453 bonds (distance) P-C4' energy: -98.541 flat angles C4'-P-C4' energy: -79.973 flat angles P-C4'-P energy: -53.683 tors. eta vs tors. theta energy: -20.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2737.788154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.788154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.788154 (E_RNA) where: Base-Base interactions energy: -1952.816 where: short stacking energy: -781.054 Base-Backbone interact. energy: -4.684 local terms energy: -780.288123 where: bonds (distance) C4'-P energy: -127.836 bonds (distance) P-C4' energy: -135.765 flat angles C4'-P-C4' energy: -168.667 flat angles P-C4'-P energy: -112.557 tors. eta vs tors. theta energy: -235.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2650.353774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.353774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.353774 (E_RNA) where: Base-Base interactions energy: -1892.223 where: short stacking energy: -762.628 Base-Backbone interact. energy: -2.053 local terms energy: -756.077887 where: bonds (distance) C4'-P energy: -134.481 bonds (distance) P-C4' energy: -120.154 flat angles C4'-P-C4' energy: -160.284 flat angles P-C4'-P energy: -107.449 tors. eta vs tors. theta energy: -233.710 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: 1 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2538.706824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.706824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.706824 (E_RNA) where: Base-Base interactions energy: -1783.022 where: short stacking energy: -729.026 Base-Backbone interact. energy: -2.260 local terms energy: -753.423954 where: bonds (distance) C4'-P energy: -124.183 bonds (distance) P-C4' energy: -134.955 flat angles C4'-P-C4' energy: -162.120 flat angles P-C4'-P energy: -100.584 tors. eta vs tors. theta energy: -231.581 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: 10 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2538.870346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.870346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.870346 (E_RNA) where: Base-Base interactions energy: -1830.343 where: short stacking energy: -730.421 Base-Backbone interact. energy: -2.738 local terms energy: -705.789099 where: bonds (distance) C4'-P energy: -114.279 bonds (distance) P-C4' energy: -131.276 flat angles C4'-P-C4' energy: -147.025 flat angles P-C4'-P energy: -87.561 tors. eta vs tors. theta energy: -225.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2353.143406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.143406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.143406 (E_RNA) where: Base-Base interactions energy: -1683.232 where: short stacking energy: -679.657 Base-Backbone interact. energy: 1.107 local terms energy: -671.018574 where: bonds (distance) C4'-P energy: -115.827 bonds (distance) P-C4' energy: -120.885 flat angles C4'-P-C4' energy: -141.548 flat angles P-C4'-P energy: -91.822 tors. eta vs tors. theta energy: -200.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2278.879763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.879763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.879763 (E_RNA) where: Base-Base interactions energy: -1606.948 where: short stacking energy: -656.520 Base-Backbone interact. energy: -1.617 local terms energy: -670.314958 where: bonds (distance) C4'-P energy: -117.690 bonds (distance) P-C4' energy: -122.029 flat angles C4'-P-C4' energy: -141.951 flat angles P-C4'-P energy: -90.499 tors. eta vs tors. theta energy: -198.146 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: 2 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2090.978253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.978253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.978253 (E_RNA) where: Base-Base interactions energy: -1513.210 where: short stacking energy: -619.953 Base-Backbone interact. energy: -1.563 local terms energy: -576.205170 where: bonds (distance) C4'-P energy: -103.176 bonds (distance) P-C4' energy: -91.311 flat angles C4'-P-C4' energy: -126.258 flat angles P-C4'-P energy: -72.030 tors. eta vs tors. theta energy: -183.431 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: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -2069.178709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.178709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.178709 (E_RNA) where: Base-Base interactions energy: -1458.154 where: short stacking energy: -609.144 Base-Backbone interact. energy: -1.101 local terms energy: -609.924310 where: bonds (distance) C4'-P energy: -102.066 bonds (distance) P-C4' energy: -108.555 flat angles C4'-P-C4' energy: -131.011 flat angles P-C4'-P energy: -89.312 tors. eta vs tors. theta energy: -178.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1776.407840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.407840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.407840 (E_RNA) where: Base-Base interactions energy: -1249.604 where: short stacking energy: -493.241 Base-Backbone interact. energy: 3.419 local terms energy: -530.223422 where: bonds (distance) C4'-P energy: -108.378 bonds (distance) P-C4' energy: -111.740 flat angles C4'-P-C4' energy: -126.049 flat angles P-C4'-P energy: -71.606 tors. eta vs tors. theta energy: -112.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -964.899437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.899437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.899437 (E_RNA) where: Base-Base interactions energy: -551.325 where: short stacking energy: -281.926 Base-Backbone interact. energy: 1.718 local terms energy: -415.292729 where: bonds (distance) C4'-P energy: -107.857 bonds (distance) P-C4' energy: -124.485 flat angles C4'-P-C4' energy: -79.530 flat angles P-C4'-P energy: -63.048 tors. eta vs tors. theta energy: -40.373 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: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2727.679761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.679761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.679761 (E_RNA) where: Base-Base interactions energy: -1940.700 where: short stacking energy: -790.173 Base-Backbone interact. energy: -2.992 local terms energy: -783.988049 where: bonds (distance) C4'-P energy: -145.074 bonds (distance) P-C4' energy: -133.888 flat angles C4'-P-C4' energy: -162.968 flat angles P-C4'-P energy: -98.844 tors. eta vs tors. theta energy: -243.214 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: 3 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2639.587012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.587012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.587012 (E_RNA) where: Base-Base interactions energy: -1899.972 where: short stacking energy: -768.924 Base-Backbone interact. energy: -1.284 local terms energy: -738.331183 where: bonds (distance) C4'-P energy: -126.373 bonds (distance) P-C4' energy: -122.557 flat angles C4'-P-C4' energy: -155.217 flat angles P-C4'-P energy: -106.442 tors. eta vs tors. theta energy: -227.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2577.005133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.005133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.005133 (E_RNA) where: Base-Base interactions energy: -1834.012 where: short stacking energy: -739.501 Base-Backbone interact. energy: -1.517 local terms energy: -741.475896 where: bonds (distance) C4'-P energy: -123.501 bonds (distance) P-C4' energy: -133.633 flat angles C4'-P-C4' energy: -159.078 flat angles P-C4'-P energy: -96.425 tors. eta vs tors. theta energy: -228.840 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: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2501.482189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.482189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.482189 (E_RNA) where: Base-Base interactions energy: -1782.484 where: short stacking energy: -735.134 Base-Backbone interact. energy: -4.642 local terms energy: -714.355586 where: bonds (distance) C4'-P energy: -107.074 bonds (distance) P-C4' energy: -125.126 flat angles C4'-P-C4' energy: -152.859 flat angles P-C4'-P energy: -96.829 tors. eta vs tors. theta energy: -232.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2403.326215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.326215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.326215 (E_RNA) where: Base-Base interactions energy: -1701.147 where: short stacking energy: -689.407 Base-Backbone interact. energy: -1.535 local terms energy: -700.644417 where: bonds (distance) C4'-P energy: -101.257 bonds (distance) P-C4' energy: -125.933 flat angles C4'-P-C4' energy: -152.076 flat angles P-C4'-P energy: -114.065 tors. eta vs tors. theta energy: -207.313 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: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2220.704264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.704264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.704264 (E_RNA) where: Base-Base interactions energy: -1561.709 where: short stacking energy: -631.042 Base-Backbone interact. energy: -3.106 local terms energy: -655.889181 where: bonds (distance) C4'-P energy: -116.261 bonds (distance) P-C4' energy: -113.517 flat angles C4'-P-C4' energy: -129.799 flat angles P-C4'-P energy: -105.833 tors. eta vs tors. theta energy: -190.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2084.148899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.148899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.148899 (E_RNA) where: Base-Base interactions energy: -1460.467 where: short stacking energy: -621.580 Base-Backbone interact. energy: 0.205 local terms energy: -623.887016 where: bonds (distance) C4'-P energy: -115.714 bonds (distance) P-C4' energy: -113.512 flat angles C4'-P-C4' energy: -140.859 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: -178.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -2036.398156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.398156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.398156 (E_RNA) where: Base-Base interactions energy: -1431.956 where: short stacking energy: -620.850 Base-Backbone interact. energy: -0.111 local terms energy: -604.331090 where: bonds (distance) C4'-P energy: -103.274 bonds (distance) P-C4' energy: -114.860 flat angles C4'-P-C4' energy: -121.980 flat angles P-C4'-P energy: -89.870 tors. eta vs tors. theta energy: -174.347 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: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1821.401556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.401556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.401556 (E_RNA) where: Base-Base interactions energy: -1266.185 where: short stacking energy: -512.207 Base-Backbone interact. energy: -2.949 local terms energy: -552.267606 where: bonds (distance) C4'-P energy: -114.227 bonds (distance) P-C4' energy: -105.399 flat angles C4'-P-C4' energy: -121.182 flat angles P-C4'-P energy: -67.618 tors. eta vs tors. theta energy: -143.842 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: 10, replica: 6 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -922.843771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.843771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.843771 (E_RNA) where: Base-Base interactions energy: -560.871 where: short stacking energy: -279.781 Base-Backbone interact. energy: -0.393 local terms energy: -361.579546 where: bonds (distance) C4'-P energy: -80.840 bonds (distance) P-C4' energy: -106.516 flat angles C4'-P-C4' energy: -84.687 flat angles P-C4'-P energy: -61.678 tors. eta vs tors. theta energy: -27.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2750.983287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.983287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.983287 (E_RNA) where: Base-Base interactions energy: -1964.375 where: short stacking energy: -792.829 Base-Backbone interact. energy: -1.653 local terms energy: -784.954453 where: bonds (distance) C4'-P energy: -141.803 bonds (distance) P-C4' energy: -131.970 flat angles C4'-P-C4' energy: -156.601 flat angles P-C4'-P energy: -112.763 tors. eta vs tors. theta energy: -241.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2666.382707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.382707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.382707 (E_RNA) where: Base-Base interactions energy: -1914.392 where: short stacking energy: -787.875 Base-Backbone interact. energy: -2.062 local terms energy: -749.927905 where: bonds (distance) C4'-P energy: -120.731 bonds (distance) P-C4' energy: -131.687 flat angles C4'-P-C4' energy: -154.846 flat angles P-C4'-P energy: -102.156 tors. eta vs tors. theta energy: -240.507 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: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2573.046668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.046668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.046668 (E_RNA) where: Base-Base interactions energy: -1847.265 where: short stacking energy: -755.527 Base-Backbone interact. energy: -3.817 local terms energy: -721.965206 where: bonds (distance) C4'-P energy: -123.282 bonds (distance) P-C4' energy: -121.246 flat angles C4'-P-C4' energy: -152.452 flat angles P-C4'-P energy: -95.035 tors. eta vs tors. theta energy: -229.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2461.950827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.950827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.950827 (E_RNA) where: Base-Base interactions energy: -1735.044 where: short stacking energy: -724.036 Base-Backbone interact. energy: -0.011 local terms energy: -726.895156 where: bonds (distance) C4'-P energy: -131.624 bonds (distance) P-C4' energy: -108.725 flat angles C4'-P-C4' energy: -151.655 flat angles P-C4'-P energy: -106.439 tors. eta vs tors. theta energy: -228.452 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: 9 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2418.186426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.186426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.186426 (E_RNA) where: Base-Base interactions energy: -1723.863 where: short stacking energy: -709.314 Base-Backbone interact. energy: 0.440 local terms energy: -694.764119 where: bonds (distance) C4'-P energy: -123.132 bonds (distance) P-C4' energy: -124.716 flat angles C4'-P-C4' energy: -132.233 flat angles P-C4'-P energy: -94.415 tors. eta vs tors. theta energy: -220.267 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: 417 Temperature: 1.150000 Total energy: -2207.954564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.954564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.954564 (E_RNA) where: Base-Base interactions energy: -1575.235 where: short stacking energy: -650.608 Base-Backbone interact. energy: -0.700 local terms energy: -632.019802 where: bonds (distance) C4'-P energy: -119.923 bonds (distance) P-C4' energy: -108.014 flat angles C4'-P-C4' energy: -146.510 flat angles P-C4'-P energy: -90.218 tors. eta vs tors. theta energy: -167.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2082.790593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.790593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.790593 (E_RNA) where: Base-Base interactions energy: -1466.342 where: short stacking energy: -600.969 Base-Backbone interact. energy: -3.372 local terms energy: -613.076813 where: bonds (distance) C4'-P energy: -97.936 bonds (distance) P-C4' energy: -119.984 flat angles C4'-P-C4' energy: -130.279 flat angles P-C4'-P energy: -79.623 tors. eta vs tors. theta energy: -185.255 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: 2 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1985.146684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.146684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.146684 (E_RNA) where: Base-Base interactions energy: -1362.081 where: short stacking energy: -582.057 Base-Backbone interact. energy: -1.286 local terms energy: -621.779318 where: bonds (distance) C4'-P energy: -121.139 bonds (distance) P-C4' energy: -121.676 flat angles C4'-P-C4' energy: -133.546 flat angles P-C4'-P energy: -84.772 tors. eta vs tors. theta energy: -160.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1746.686256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.686256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.686256 (E_RNA) where: Base-Base interactions energy: -1224.405 where: short stacking energy: -513.991 Base-Backbone interact. energy: -0.976 local terms energy: -521.305544 where: bonds (distance) C4'-P energy: -84.471 bonds (distance) P-C4' energy: -108.828 flat angles C4'-P-C4' energy: -124.923 flat angles P-C4'-P energy: -77.929 tors. eta vs tors. theta energy: -125.154 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: 6 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -874.516587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.516587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.516587 (E_RNA) where: Base-Base interactions energy: -491.519 where: short stacking energy: -226.922 Base-Backbone interact. energy: 1.425 local terms energy: -384.422464 where: bonds (distance) C4'-P energy: -113.556 bonds (distance) P-C4' energy: -117.352 flat angles C4'-P-C4' energy: -104.242 flat angles P-C4'-P energy: -42.005 tors. eta vs tors. theta energy: -7.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2701.994869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.994869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.994869 (E_RNA) where: Base-Base interactions energy: -1921.893 where: short stacking energy: -792.377 Base-Backbone interact. energy: -1.805 local terms energy: -778.295922 where: bonds (distance) C4'-P energy: -137.165 bonds (distance) P-C4' energy: -127.279 flat angles C4'-P-C4' energy: -166.708 flat angles P-C4'-P energy: -107.498 tors. eta vs tors. theta energy: -239.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2666.967388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.967388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.967388 (E_RNA) where: Base-Base interactions energy: -1889.219 where: short stacking energy: -739.822 Base-Backbone interact. energy: -4.498 local terms energy: -773.250485 where: bonds (distance) C4'-P energy: -135.463 bonds (distance) P-C4' energy: -132.347 flat angles C4'-P-C4' energy: -168.774 flat angles P-C4'-P energy: -103.925 tors. eta vs tors. theta energy: -232.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2563.749600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.749600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.749600 (E_RNA) where: Base-Base interactions energy: -1824.420 where: short stacking energy: -744.546 Base-Backbone interact. energy: -1.224 local terms energy: -738.105414 where: bonds (distance) C4'-P energy: -118.740 bonds (distance) P-C4' energy: -132.160 flat angles C4'-P-C4' energy: -153.431 flat angles P-C4'-P energy: -103.825 tors. eta vs tors. theta energy: -229.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2461.282355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.282355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.282355 (E_RNA) where: Base-Base interactions energy: -1726.411 where: short stacking energy: -721.958 Base-Backbone interact. energy: 0.482 local terms energy: -735.352523 where: bonds (distance) C4'-P energy: -123.488 bonds (distance) P-C4' energy: -130.764 flat angles C4'-P-C4' energy: -162.338 flat angles P-C4'-P energy: -97.285 tors. eta vs tors. theta energy: -221.476 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: 418 Temperature: 1.100000 Total energy: -2390.677862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.677862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.677862 (E_RNA) where: Base-Base interactions energy: -1715.989 where: short stacking energy: -696.848 Base-Backbone interact. energy: -3.415 local terms energy: -671.273946 where: bonds (distance) C4'-P energy: -111.970 bonds (distance) P-C4' energy: -116.149 flat angles C4'-P-C4' energy: -136.724 flat angles P-C4'-P energy: -96.043 tors. eta vs tors. theta energy: -210.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2238.205183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.205183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.205183 (E_RNA) where: Base-Base interactions energy: -1607.221 where: short stacking energy: -629.727 Base-Backbone interact. energy: -3.019 local terms energy: -627.965414 where: bonds (distance) C4'-P energy: -101.416 bonds (distance) P-C4' energy: -115.477 flat angles C4'-P-C4' energy: -128.247 flat angles P-C4'-P energy: -91.311 tors. eta vs tors. theta energy: -191.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2025.025084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.025084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.025084 (E_RNA) where: Base-Base interactions energy: -1417.128 where: short stacking energy: -576.400 Base-Backbone interact. energy: 1.077 local terms energy: -608.974472 where: bonds (distance) C4'-P energy: -107.820 bonds (distance) P-C4' energy: -112.908 flat angles C4'-P-C4' energy: -137.492 flat angles P-C4'-P energy: -74.759 tors. eta vs tors. theta energy: -175.995 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: 418 Temperature: 1.250000 Total energy: -1983.524690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.524690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.524690 (E_RNA) where: Base-Base interactions energy: -1420.089 where: short stacking energy: -598.216 Base-Backbone interact. energy: -0.129 local terms energy: -563.306258 where: bonds (distance) C4'-P energy: -121.287 bonds (distance) P-C4' energy: -99.280 flat angles C4'-P-C4' energy: -109.017 flat angles P-C4'-P energy: -70.205 tors. eta vs tors. theta energy: -163.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1729.254058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.254058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.254058 (E_RNA) where: Base-Base interactions energy: -1185.859 where: short stacking energy: -478.663 Base-Backbone interact. energy: 0.804 local terms energy: -544.198278 where: bonds (distance) C4'-P energy: -110.527 bonds (distance) P-C4' energy: -107.387 flat angles C4'-P-C4' energy: -120.876 flat angles P-C4'-P energy: -81.935 tors. eta vs tors. theta energy: -123.473 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: 6 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -938.981339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.981339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.981339 (E_RNA) where: Base-Base interactions energy: -540.299 where: short stacking energy: -262.763 Base-Backbone interact. energy: 0.168 local terms energy: -398.850346 where: bonds (distance) C4'-P energy: -104.001 bonds (distance) P-C4' energy: -97.658 flat angles C4'-P-C4' energy: -105.636 flat angles P-C4'-P energy: -47.899 tors. eta vs tors. theta energy: -43.656 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: 3 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2715.104665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.104665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.104665 (E_RNA) where: Base-Base interactions energy: -1937.097 where: short stacking energy: -795.463 Base-Backbone interact. energy: -4.835 local terms energy: -773.172983 where: bonds (distance) C4'-P energy: -132.593 bonds (distance) P-C4' energy: -132.533 flat angles C4'-P-C4' energy: -157.797 flat angles P-C4'-P energy: -109.509 tors. eta vs tors. theta energy: -240.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2663.165422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.165422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.165422 (E_RNA) where: Base-Base interactions energy: -1882.896 where: short stacking energy: -758.190 Base-Backbone interact. energy: -4.258 local terms energy: -776.011608 where: bonds (distance) C4'-P energy: -128.395 bonds (distance) P-C4' energy: -136.908 flat angles C4'-P-C4' energy: -153.645 flat angles P-C4'-P energy: -118.577 tors. eta vs tors. theta energy: -238.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2595.742099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.742099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.742099 (E_RNA) where: Base-Base interactions energy: -1837.973 where: short stacking energy: -747.169 Base-Backbone interact. energy: -1.759 local terms energy: -756.010453 where: bonds (distance) C4'-P energy: -147.351 bonds (distance) P-C4' energy: -125.319 flat angles C4'-P-C4' energy: -157.586 flat angles P-C4'-P energy: -98.914 tors. eta vs tors. theta energy: -226.840 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: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2480.446630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.446630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.446630 (E_RNA) where: Base-Base interactions energy: -1757.229 where: short stacking energy: -721.463 Base-Backbone interact. energy: -2.099 local terms energy: -721.119235 where: bonds (distance) C4'-P energy: -120.275 bonds (distance) P-C4' energy: -115.480 flat angles C4'-P-C4' energy: -146.669 flat angles P-C4'-P energy: -112.388 tors. eta vs tors. theta energy: -226.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2429.631548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.631548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.631548 (E_RNA) where: Base-Base interactions energy: -1749.266 where: short stacking energy: -724.525 Base-Backbone interact. energy: 0.711 local terms energy: -681.076471 where: bonds (distance) C4'-P energy: -110.090 bonds (distance) P-C4' energy: -114.450 flat angles C4'-P-C4' energy: -149.318 flat angles P-C4'-P energy: -88.018 tors. eta vs tors. theta energy: -219.201 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: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2253.365022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.365022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.365022 (E_RNA) where: Base-Base interactions energy: -1617.426 where: short stacking energy: -652.123 Base-Backbone interact. energy: -0.284 local terms energy: -635.655662 where: bonds (distance) C4'-P energy: -95.986 bonds (distance) P-C4' energy: -119.781 flat angles C4'-P-C4' energy: -137.374 flat angles P-C4'-P energy: -90.442 tors. eta vs tors. theta energy: -192.073 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: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2065.478083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.478083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.478083 (E_RNA) where: Base-Base interactions energy: -1434.578 where: short stacking energy: -559.407 Base-Backbone interact. energy: -0.720 local terms energy: -630.180660 where: bonds (distance) C4'-P energy: -110.505 bonds (distance) P-C4' energy: -117.962 flat angles C4'-P-C4' energy: -137.558 flat angles P-C4'-P energy: -94.967 tors. eta vs tors. theta energy: -169.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1988.795952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.795952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.795952 (E_RNA) where: Base-Base interactions energy: -1387.754 where: short stacking energy: -579.599 Base-Backbone interact. energy: 6.706 local terms energy: -607.747906 where: bonds (distance) C4'-P energy: -107.499 bonds (distance) P-C4' energy: -113.923 flat angles C4'-P-C4' energy: -124.244 flat angles P-C4'-P energy: -90.295 tors. eta vs tors. theta energy: -171.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1775.840606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.840606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.840606 (E_RNA) where: Base-Base interactions energy: -1236.457 where: short stacking energy: -526.302 Base-Backbone interact. energy: -2.626 local terms energy: -536.757730 where: bonds (distance) C4'-P energy: -99.998 bonds (distance) P-C4' energy: -120.220 flat angles C4'-P-C4' energy: -107.170 flat angles P-C4'-P energy: -72.567 tors. eta vs tors. theta energy: -136.803 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: 10, replica: 6 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -949.608255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.608255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.608255 (E_RNA) where: Base-Base interactions energy: -552.470 where: short stacking energy: -253.620 Base-Backbone interact. energy: 5.239 local terms energy: -402.376875 where: bonds (distance) C4'-P energy: -98.344 bonds (distance) P-C4' energy: -108.996 flat angles C4'-P-C4' energy: -95.764 flat angles P-C4'-P energy: -71.412 tors. eta vs tors. theta energy: -27.862 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: 3 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2696.265540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.265540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.265540 (E_RNA) where: Base-Base interactions energy: -1901.973 where: short stacking energy: -780.146 Base-Backbone interact. energy: -1.201 local terms energy: -793.090787 where: bonds (distance) C4'-P energy: -133.026 bonds (distance) P-C4' energy: -141.099 flat angles C4'-P-C4' energy: -167.190 flat angles P-C4'-P energy: -115.832 tors. eta vs tors. theta energy: -235.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2671.883987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.883987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.883987 (E_RNA) where: Base-Base interactions energy: -1897.039 where: short stacking energy: -756.448 Base-Backbone interact. energy: -2.805 local terms energy: -772.039900 where: bonds (distance) C4'-P energy: -129.214 bonds (distance) P-C4' energy: -145.065 flat angles C4'-P-C4' energy: -164.447 flat angles P-C4'-P energy: -105.825 tors. eta vs tors. theta energy: -227.488 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: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2566.994983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.994983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.994983 (E_RNA) where: Base-Base interactions energy: -1801.860 where: short stacking energy: -755.019 Base-Backbone interact. energy: -0.944 local terms energy: -764.191079 where: bonds (distance) C4'-P energy: -131.220 bonds (distance) P-C4' energy: -137.533 flat angles C4'-P-C4' energy: -151.832 flat angles P-C4'-P energy: -108.240 tors. eta vs tors. theta energy: -235.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2491.030487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.030487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.030487 (E_RNA) where: Base-Base interactions energy: -1799.902 where: short stacking energy: -731.785 Base-Backbone interact. energy: -3.269 local terms energy: -687.859376 where: bonds (distance) C4'-P energy: -106.742 bonds (distance) P-C4' energy: -96.515 flat angles C4'-P-C4' energy: -157.685 flat angles P-C4'-P energy: -98.106 tors. eta vs tors. theta energy: -228.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2449.761239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.761239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.761239 (E_RNA) where: Base-Base interactions energy: -1745.037 where: short stacking energy: -729.675 Base-Backbone interact. energy: 0.222 local terms energy: -704.946201 where: bonds (distance) C4'-P energy: -125.298 bonds (distance) P-C4' energy: -115.934 flat angles C4'-P-C4' energy: -148.399 flat angles P-C4'-P energy: -93.602 tors. eta vs tors. theta energy: -221.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2209.729480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.729480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.729480 (E_RNA) where: Base-Base interactions energy: -1566.125 where: short stacking energy: -652.701 Base-Backbone interact. energy: -2.039 local terms energy: -641.565454 where: bonds (distance) C4'-P energy: -111.536 bonds (distance) P-C4' energy: -104.242 flat angles C4'-P-C4' energy: -131.671 flat angles P-C4'-P energy: -103.073 tors. eta vs tors. theta energy: -191.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2121.743821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.743821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.743821 (E_RNA) where: Base-Base interactions energy: -1475.457 where: short stacking energy: -605.048 Base-Backbone interact. energy: 1.815 local terms energy: -648.101651 where: bonds (distance) C4'-P energy: -118.450 bonds (distance) P-C4' energy: -126.714 flat angles C4'-P-C4' energy: -136.175 flat angles P-C4'-P energy: -92.611 tors. eta vs tors. theta energy: -174.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1947.327927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.327927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.327927 (E_RNA) where: Base-Base interactions energy: -1363.580 where: short stacking energy: -565.397 Base-Backbone interact. energy: 4.632 local terms energy: -588.379477 where: bonds (distance) C4'-P energy: -100.160 bonds (distance) P-C4' energy: -116.228 flat angles C4'-P-C4' energy: -133.842 flat angles P-C4'-P energy: -82.508 tors. eta vs tors. theta energy: -155.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1729.686947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.686947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.686947 (E_RNA) where: Base-Base interactions energy: -1195.750 where: short stacking energy: -510.660 Base-Backbone interact. energy: -0.127 local terms energy: -533.809620 where: bonds (distance) C4'-P energy: -96.796 bonds (distance) P-C4' energy: -112.581 flat angles C4'-P-C4' energy: -126.388 flat angles P-C4'-P energy: -87.107 tors. eta vs tors. theta energy: -110.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -964.989842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.989842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.989842 (E_RNA) where: Base-Base interactions energy: -574.088 where: short stacking energy: -258.274 Base-Backbone interact. energy: -1.126 local terms energy: -389.775469 where: bonds (distance) C4'-P energy: -85.145 bonds (distance) P-C4' energy: -118.824 flat angles C4'-P-C4' energy: -101.247 flat angles P-C4'-P energy: -62.106 tors. eta vs tors. theta energy: -22.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2697.634865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.634865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.634865 (E_RNA) where: Base-Base interactions energy: -1929.999 where: short stacking energy: -779.984 Base-Backbone interact. energy: 0.387 local terms energy: -768.022812 where: bonds (distance) C4'-P energy: -128.759 bonds (distance) P-C4' energy: -135.813 flat angles C4'-P-C4' energy: -151.683 flat angles P-C4'-P energy: -114.898 tors. eta vs tors. theta energy: -236.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2682.528949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.528949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.528949 (E_RNA) where: Base-Base interactions energy: -1916.905 where: short stacking energy: -777.583 Base-Backbone interact. energy: -0.237 local terms energy: -765.386646 where: bonds (distance) C4'-P energy: -132.999 bonds (distance) P-C4' energy: -139.672 flat angles C4'-P-C4' energy: -157.875 flat angles P-C4'-P energy: -108.476 tors. eta vs tors. theta energy: -226.364 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: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2576.610078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.610078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.610078 (E_RNA) where: Base-Base interactions energy: -1853.560 where: short stacking energy: -734.835 Base-Backbone interact. energy: -1.925 local terms energy: -721.125465 where: bonds (distance) C4'-P energy: -124.118 bonds (distance) P-C4' energy: -119.677 flat angles C4'-P-C4' energy: -162.449 flat angles P-C4'-P energy: -91.858 tors. eta vs tors. theta energy: -223.024 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: 4, replica: 1 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2467.688279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.688279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.688279 (E_RNA) where: Base-Base interactions energy: -1791.119 where: short stacking energy: -709.756 Base-Backbone interact. energy: -0.515 local terms energy: -676.054647 where: bonds (distance) C4'-P energy: -101.049 bonds (distance) P-C4' energy: -118.357 flat angles C4'-P-C4' energy: -148.822 flat angles P-C4'-P energy: -81.281 tors. eta vs tors. theta energy: -226.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2392.940229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.940229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.940229 (E_RNA) where: Base-Base interactions energy: -1705.638 where: short stacking energy: -708.475 Base-Backbone interact. energy: -0.407 local terms energy: -686.895113 where: bonds (distance) C4'-P energy: -128.818 bonds (distance) P-C4' energy: -107.114 flat angles C4'-P-C4' energy: -138.178 flat angles P-C4'-P energy: -89.848 tors. eta vs tors. theta energy: -222.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2261.767087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.767087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.767087 (E_RNA) where: Base-Base interactions energy: -1613.131 where: short stacking energy: -651.308 Base-Backbone interact. energy: -1.390 local terms energy: -647.246114 where: bonds (distance) C4'-P energy: -114.777 bonds (distance) P-C4' energy: -112.264 flat angles C4'-P-C4' energy: -129.518 flat angles P-C4'-P energy: -95.216 tors. eta vs tors. theta energy: -195.471 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: 5 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2112.959443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.959443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.959443 (E_RNA) where: Base-Base interactions energy: -1477.050 where: short stacking energy: -606.718 Base-Backbone interact. energy: 1.420 local terms energy: -637.329619 where: bonds (distance) C4'-P energy: -107.575 bonds (distance) P-C4' energy: -100.283 flat angles C4'-P-C4' energy: -150.004 flat angles P-C4'-P energy: -87.068 tors. eta vs tors. theta energy: -192.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1966.156409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.156409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.156409 (E_RNA) where: Base-Base interactions energy: -1381.642 where: short stacking energy: -564.737 Base-Backbone interact. energy: -1.313 local terms energy: -583.200613 where: bonds (distance) C4'-P energy: -95.310 bonds (distance) P-C4' energy: -115.459 flat angles C4'-P-C4' energy: -135.317 flat angles P-C4'-P energy: -83.539 tors. eta vs tors. theta energy: -153.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1763.480674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.480674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.480674 (E_RNA) where: Base-Base interactions energy: -1197.669 where: short stacking energy: -488.687 Base-Backbone interact. energy: -3.487 local terms energy: -562.324433 where: bonds (distance) C4'-P energy: -108.478 bonds (distance) P-C4' energy: -109.040 flat angles C4'-P-C4' energy: -133.871 flat angles P-C4'-P energy: -67.157 tors. eta vs tors. theta energy: -143.778 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: 6 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -896.387705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.387705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.387705 (E_RNA) where: Base-Base interactions energy: -498.258 where: short stacking energy: -237.820 Base-Backbone interact. energy: -1.631 local terms energy: -396.499404 where: bonds (distance) C4'-P energy: -104.713 bonds (distance) P-C4' energy: -109.664 flat angles C4'-P-C4' energy: -107.165 flat angles P-C4'-P energy: -47.043 tors. eta vs tors. theta energy: -27.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2702.167798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.167798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.167798 (E_RNA) where: Base-Base interactions energy: -1935.410 where: short stacking energy: -799.280 Base-Backbone interact. energy: -2.808 local terms energy: -763.949673 where: bonds (distance) C4'-P energy: -117.791 bonds (distance) P-C4' energy: -136.830 flat angles C4'-P-C4' energy: -156.163 flat angles P-C4'-P energy: -120.059 tors. eta vs tors. theta energy: -233.106 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: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2685.472699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.472699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.472699 (E_RNA) where: Base-Base interactions energy: -1920.847 where: short stacking energy: -785.511 Base-Backbone interact. energy: -2.275 local terms energy: -762.350862 where: bonds (distance) C4'-P energy: -126.130 bonds (distance) P-C4' energy: -135.914 flat angles C4'-P-C4' energy: -157.854 flat angles P-C4'-P energy: -104.425 tors. eta vs tors. theta energy: -238.027 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: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2596.058121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.058121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.058121 (E_RNA) where: Base-Base interactions energy: -1844.824 where: short stacking energy: -757.973 Base-Backbone interact. energy: -1.548 local terms energy: -749.686069 where: bonds (distance) C4'-P energy: -138.632 bonds (distance) P-C4' energy: -125.801 flat angles C4'-P-C4' energy: -150.909 flat angles P-C4'-P energy: -89.155 tors. eta vs tors. theta energy: -245.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2493.378896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.378896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.378896 (E_RNA) where: Base-Base interactions energy: -1765.823 where: short stacking energy: -732.964 Base-Backbone interact. energy: -1.655 local terms energy: -725.900622 where: bonds (distance) C4'-P energy: -106.071 bonds (distance) P-C4' energy: -122.376 flat angles C4'-P-C4' energy: -157.871 flat angles P-C4'-P energy: -106.056 tors. eta vs tors. theta energy: -233.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2441.567033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.567033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.567033 (E_RNA) where: Base-Base interactions energy: -1730.689 where: short stacking energy: -718.509 Base-Backbone interact. energy: 0.056 local terms energy: -710.933949 where: bonds (distance) C4'-P energy: -111.553 bonds (distance) P-C4' energy: -126.978 flat angles C4'-P-C4' energy: -148.797 flat angles P-C4'-P energy: -107.078 tors. eta vs tors. theta energy: -216.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2282.152282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.152282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.152282 (E_RNA) where: Base-Base interactions energy: -1650.819 where: short stacking energy: -668.505 Base-Backbone interact. energy: 0.048 local terms energy: -631.380619 where: bonds (distance) C4'-P energy: -96.190 bonds (distance) P-C4' energy: -114.946 flat angles C4'-P-C4' energy: -137.411 flat angles P-C4'-P energy: -85.347 tors. eta vs tors. theta energy: -197.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2157.494946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.494946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.494946 (E_RNA) where: Base-Base interactions energy: -1503.098 where: short stacking energy: -624.941 Base-Backbone interact. energy: -2.213 local terms energy: -652.183356 where: bonds (distance) C4'-P energy: -103.451 bonds (distance) P-C4' energy: -115.965 flat angles C4'-P-C4' energy: -144.294 flat angles P-C4'-P energy: -90.446 tors. eta vs tors. theta energy: -198.027 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: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1997.967015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.967015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.967015 (E_RNA) where: Base-Base interactions energy: -1396.129 where: short stacking energy: -581.308 Base-Backbone interact. energy: -2.760 local terms energy: -599.078153 where: bonds (distance) C4'-P energy: -109.407 bonds (distance) P-C4' energy: -108.894 flat angles C4'-P-C4' energy: -124.281 flat angles P-C4'-P energy: -86.974 tors. eta vs tors. theta energy: -169.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1785.238097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.238097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.238097 (E_RNA) where: Base-Base interactions energy: -1243.285 where: short stacking energy: -522.792 Base-Backbone interact. energy: -2.358 local terms energy: -539.595451 where: bonds (distance) C4'-P energy: -89.083 bonds (distance) P-C4' energy: -134.130 flat angles C4'-P-C4' energy: -102.699 flat angles P-C4'-P energy: -72.261 tors. eta vs tors. theta energy: -141.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -795.137356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.137356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.137356 (E_RNA) where: Base-Base interactions energy: -435.172 where: short stacking energy: -233.478 Base-Backbone interact. energy: -2.418 local terms energy: -357.546966 where: bonds (distance) C4'-P energy: -91.742 bonds (distance) P-C4' energy: -114.693 flat angles C4'-P-C4' energy: -83.507 flat angles P-C4'-P energy: -53.752 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: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2695.451388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.451388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.451388 (E_RNA) where: Base-Base interactions energy: -1920.849 where: short stacking energy: -790.876 Base-Backbone interact. energy: -1.364 local terms energy: -773.237816 where: bonds (distance) C4'-P energy: -117.449 bonds (distance) P-C4' energy: -133.293 flat angles C4'-P-C4' energy: -167.798 flat angles P-C4'-P energy: -117.534 tors. eta vs tors. theta energy: -237.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2653.093418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.093418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.093418 (E_RNA) where: Base-Base interactions energy: -1925.944 where: short stacking energy: -779.024 Base-Backbone interact. energy: -2.880 local terms energy: -724.269455 where: bonds (distance) C4'-P energy: -122.025 bonds (distance) P-C4' energy: -114.949 flat angles C4'-P-C4' energy: -153.031 flat angles P-C4'-P energy: -107.709 tors. eta vs tors. theta energy: -226.555 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: 10 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2587.404487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.404487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.404487 (E_RNA) where: Base-Base interactions energy: -1829.799 where: short stacking energy: -745.879 Base-Backbone interact. energy: -2.449 local terms energy: -755.156127 where: bonds (distance) C4'-P energy: -125.218 bonds (distance) P-C4' energy: -140.003 flat angles C4'-P-C4' energy: -148.282 flat angles P-C4'-P energy: -116.031 tors. eta vs tors. theta energy: -225.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2473.858995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.858995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.858995 (E_RNA) where: Base-Base interactions energy: -1760.139 where: short stacking energy: -710.965 Base-Backbone interact. energy: -1.378 local terms energy: -712.342172 where: bonds (distance) C4'-P energy: -110.819 bonds (distance) P-C4' energy: -128.686 flat angles C4'-P-C4' energy: -145.779 flat angles P-C4'-P energy: -94.177 tors. eta vs tors. theta energy: -232.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2417.011177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.011177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.011177 (E_RNA) where: Base-Base interactions energy: -1704.113 where: short stacking energy: -706.618 Base-Backbone interact. energy: 0.181 local terms energy: -713.079008 where: bonds (distance) C4'-P energy: -111.643 bonds (distance) P-C4' energy: -114.095 flat angles C4'-P-C4' energy: -154.598 flat angles P-C4'-P energy: -109.755 tors. eta vs tors. theta energy: -222.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2284.382238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.382238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.382238 (E_RNA) where: Base-Base interactions energy: -1618.783 where: short stacking energy: -626.338 Base-Backbone interact. energy: -0.665 local terms energy: -664.934268 where: bonds (distance) C4'-P energy: -123.328 bonds (distance) P-C4' energy: -119.500 flat angles C4'-P-C4' energy: -136.034 flat angles P-C4'-P energy: -95.847 tors. eta vs tors. theta energy: -190.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2147.437164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.437164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.437164 (E_RNA) where: Base-Base interactions energy: -1516.896 where: short stacking energy: -624.987 Base-Backbone interact. energy: -1.535 local terms energy: -629.005797 where: bonds (distance) C4'-P energy: -106.598 bonds (distance) P-C4' energy: -117.786 flat angles C4'-P-C4' energy: -136.269 flat angles P-C4'-P energy: -87.408 tors. eta vs tors. theta energy: -180.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1972.132456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.132456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.132456 (E_RNA) where: Base-Base interactions energy: -1385.851 where: short stacking energy: -565.279 Base-Backbone interact. energy: -0.266 local terms energy: -586.015401 where: bonds (distance) C4'-P energy: -100.354 bonds (distance) P-C4' energy: -84.349 flat angles C4'-P-C4' energy: -141.410 flat angles P-C4'-P energy: -80.245 tors. eta vs tors. theta energy: -179.657 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: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1731.796307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.796307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.796307 (E_RNA) where: Base-Base interactions energy: -1215.212 where: short stacking energy: -498.544 Base-Backbone interact. energy: -1.696 local terms energy: -514.888538 where: bonds (distance) C4'-P energy: -80.239 bonds (distance) P-C4' energy: -110.406 flat angles C4'-P-C4' energy: -121.467 flat angles P-C4'-P energy: -78.236 tors. eta vs tors. theta energy: -124.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -800.576883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.576883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.576883 (E_RNA) where: Base-Base interactions energy: -409.859 where: short stacking energy: -242.405 Base-Backbone interact. energy: -0.154 local terms energy: -390.563359 where: bonds (distance) C4'-P energy: -96.509 bonds (distance) P-C4' energy: -93.155 flat angles C4'-P-C4' energy: -105.086 flat angles P-C4'-P energy: -65.646 tors. eta vs tors. theta energy: -30.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2703.935888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.935888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.935888 (E_RNA) where: Base-Base interactions energy: -1917.227 where: short stacking energy: -794.810 Base-Backbone interact. energy: -2.398 local terms energy: -784.310004 where: bonds (distance) C4'-P energy: -130.144 bonds (distance) P-C4' energy: -132.779 flat angles C4'-P-C4' energy: -166.100 flat angles P-C4'-P energy: -115.898 tors. eta vs tors. theta energy: -239.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2649.415933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.415933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.415933 (E_RNA) where: Base-Base interactions energy: -1911.705 where: short stacking energy: -772.737 Base-Backbone interact. energy: -1.496 local terms energy: -736.215249 where: bonds (distance) C4'-P energy: -122.027 bonds (distance) P-C4' energy: -118.537 flat angles C4'-P-C4' energy: -154.627 flat angles P-C4'-P energy: -107.233 tors. eta vs tors. theta energy: -233.791 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: 10 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2567.076382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.076382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.076382 (E_RNA) where: Base-Base interactions energy: -1813.830 where: short stacking energy: -734.461 Base-Backbone interact. energy: -1.216 local terms energy: -752.029958 where: bonds (distance) C4'-P energy: -116.926 bonds (distance) P-C4' energy: -132.898 flat angles C4'-P-C4' energy: -155.355 flat angles P-C4'-P energy: -115.355 tors. eta vs tors. theta energy: -231.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2491.558853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.558853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.558853 (E_RNA) where: Base-Base interactions energy: -1767.365 where: short stacking energy: -717.341 Base-Backbone interact. energy: -1.765 local terms energy: -722.428841 where: bonds (distance) C4'-P energy: -125.764 bonds (distance) P-C4' energy: -126.038 flat angles C4'-P-C4' energy: -146.742 flat angles P-C4'-P energy: -103.855 tors. eta vs tors. theta energy: -220.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2407.817701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.817701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.817701 (E_RNA) where: Base-Base interactions energy: -1718.956 where: short stacking energy: -713.356 Base-Backbone interact. energy: 0.054 local terms energy: -688.915503 where: bonds (distance) C4'-P energy: -94.873 bonds (distance) P-C4' energy: -119.630 flat angles C4'-P-C4' energy: -144.281 flat angles P-C4'-P energy: -106.376 tors. eta vs tors. theta energy: -223.756 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: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2266.038778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.038778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.038778 (E_RNA) where: Base-Base interactions energy: -1604.997 where: short stacking energy: -648.484 Base-Backbone interact. energy: -1.391 local terms energy: -659.650813 where: bonds (distance) C4'-P energy: -117.698 bonds (distance) P-C4' energy: -127.077 flat angles C4'-P-C4' energy: -135.527 flat angles P-C4'-P energy: -91.629 tors. eta vs tors. theta energy: -187.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2148.284897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.284897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.284897 (E_RNA) where: Base-Base interactions energy: -1519.577 where: short stacking energy: -636.015 Base-Backbone interact. energy: 0.598 local terms energy: -629.305668 where: bonds (distance) C4'-P energy: -94.321 bonds (distance) P-C4' energy: -126.112 flat angles C4'-P-C4' energy: -138.440 flat angles P-C4'-P energy: -92.223 tors. eta vs tors. theta energy: -178.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -2017.242562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.242562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.242562 (E_RNA) where: Base-Base interactions energy: -1438.318 where: short stacking energy: -584.997 Base-Backbone interact. energy: -0.248 local terms energy: -578.676946 where: bonds (distance) C4'-P energy: -113.359 bonds (distance) P-C4' energy: -96.344 flat angles C4'-P-C4' energy: -106.470 flat angles P-C4'-P energy: -84.970 tors. eta vs tors. theta energy: -177.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1733.486804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.486804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.486804 (E_RNA) where: Base-Base interactions energy: -1218.947 where: short stacking energy: -495.961 Base-Backbone interact. energy: -4.612 local terms energy: -509.927630 where: bonds (distance) C4'-P energy: -103.807 bonds (distance) P-C4' energy: -96.178 flat angles C4'-P-C4' energy: -119.882 flat angles P-C4'-P energy: -72.433 tors. eta vs tors. theta energy: -117.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -777.530884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.530884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.530884 (E_RNA) where: Base-Base interactions energy: -410.051 where: short stacking energy: -206.335 Base-Backbone interact. energy: 0.959 local terms energy: -368.438481 where: bonds (distance) C4'-P energy: -111.753 bonds (distance) P-C4' energy: -111.780 flat angles C4'-P-C4' energy: -82.985 flat angles P-C4'-P energy: -66.624 tors. eta vs tors. theta energy: 4.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2701.326615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.326615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.326615 (E_RNA) where: Base-Base interactions energy: -1941.502 where: short stacking energy: -764.405 Base-Backbone interact. energy: -1.562 local terms energy: -758.262738 where: bonds (distance) C4'-P energy: -122.989 bonds (distance) P-C4' energy: -132.404 flat angles C4'-P-C4' energy: -164.768 flat angles P-C4'-P energy: -107.797 tors. eta vs tors. theta energy: -230.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2662.362838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.362838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.362838 (E_RNA) where: Base-Base interactions energy: -1915.254 where: short stacking energy: -765.016 Base-Backbone interact. energy: 0.568 local terms energy: -747.677036 where: bonds (distance) C4'-P energy: -134.805 bonds (distance) P-C4' energy: -118.023 flat angles C4'-P-C4' energy: -156.768 flat angles P-C4'-P energy: -109.649 tors. eta vs tors. theta energy: -228.432 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: 3, replica: 10 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2584.396687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.396687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.396687 (E_RNA) where: Base-Base interactions energy: -1848.223 where: short stacking energy: -749.952 Base-Backbone interact. energy: -1.281 local terms energy: -734.892516 where: bonds (distance) C4'-P energy: -116.213 bonds (distance) P-C4' energy: -120.303 flat angles C4'-P-C4' energy: -149.976 flat angles P-C4'-P energy: -110.916 tors. eta vs tors. theta energy: -237.485 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: 425 Temperature: 1.050000 Total energy: -2519.697761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.697761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.697761 (E_RNA) where: Base-Base interactions energy: -1766.738 where: short stacking energy: -711.642 Base-Backbone interact. energy: 0.138 local terms energy: -753.098581 where: bonds (distance) C4'-P energy: -130.474 bonds (distance) P-C4' energy: -137.273 flat angles C4'-P-C4' energy: -152.918 flat angles P-C4'-P energy: -108.399 tors. eta vs tors. theta energy: -224.035 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: 9 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2453.666754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.666754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.666754 (E_RNA) where: Base-Base interactions energy: -1724.321 where: short stacking energy: -695.682 Base-Backbone interact. energy: 0.347 local terms energy: -729.691763 where: bonds (distance) C4'-P energy: -125.620 bonds (distance) P-C4' energy: -122.740 flat angles C4'-P-C4' energy: -148.371 flat angles P-C4'-P energy: -118.400 tors. eta vs tors. theta energy: -214.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2223.876387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.876387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.876387 (E_RNA) where: Base-Base interactions energy: -1563.534 where: short stacking energy: -622.387 Base-Backbone interact. energy: -3.074 local terms energy: -657.268082 where: bonds (distance) C4'-P energy: -113.160 bonds (distance) P-C4' energy: -124.049 flat angles C4'-P-C4' energy: -137.167 flat angles P-C4'-P energy: -88.090 tors. eta vs tors. theta energy: -194.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2162.519430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.519430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.519430 (E_RNA) where: Base-Base interactions energy: -1513.361 where: short stacking energy: -614.270 Base-Backbone interact. energy: -1.512 local terms energy: -647.646376 where: bonds (distance) C4'-P energy: -113.596 bonds (distance) P-C4' energy: -122.600 flat angles C4'-P-C4' energy: -138.212 flat angles P-C4'-P energy: -80.985 tors. eta vs tors. theta energy: -192.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -2028.348684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.348684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.348684 (E_RNA) where: Base-Base interactions energy: -1412.978 where: short stacking energy: -593.469 Base-Backbone interact. energy: 1.741 local terms energy: -617.111590 where: bonds (distance) C4'-P energy: -99.997 bonds (distance) P-C4' energy: -108.905 flat angles C4'-P-C4' energy: -137.317 flat angles P-C4'-P energy: -100.489 tors. eta vs tors. theta energy: -170.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1765.737842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.737842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.737842 (E_RNA) where: Base-Base interactions energy: -1202.869 where: short stacking energy: -489.686 Base-Backbone interact. energy: -0.797 local terms energy: -562.071269 where: bonds (distance) C4'-P energy: -102.959 bonds (distance) P-C4' energy: -140.327 flat angles C4'-P-C4' energy: -122.236 flat angles P-C4'-P energy: -84.653 tors. eta vs tors. theta energy: -111.895 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: 10, replica: 6 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -834.285772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.285772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.285772 (E_RNA) where: Base-Base interactions energy: -437.612 where: short stacking energy: -208.106 Base-Backbone interact. energy: -2.374 local terms energy: -394.299720 where: bonds (distance) C4'-P energy: -108.393 bonds (distance) P-C4' energy: -112.136 flat angles C4'-P-C4' energy: -117.491 flat angles P-C4'-P energy: -48.191 tors. eta vs tors. theta energy: -8.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2713.699101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.699101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.699101 (E_RNA) where: Base-Base interactions energy: -1957.229 where: short stacking energy: -788.770 Base-Backbone interact. energy: -3.213 local terms energy: -753.257061 where: bonds (distance) C4'-P energy: -122.274 bonds (distance) P-C4' energy: -126.773 flat angles C4'-P-C4' energy: -161.698 flat angles P-C4'-P energy: -105.131 tors. eta vs tors. theta energy: -237.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2699.402633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.402633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.402633 (E_RNA) where: Base-Base interactions energy: -1922.718 where: short stacking energy: -797.160 Base-Backbone interact. energy: -1.887 local terms energy: -774.797954 where: bonds (distance) C4'-P energy: -138.837 bonds (distance) P-C4' energy: -128.731 flat angles C4'-P-C4' energy: -163.480 flat angles P-C4'-P energy: -107.027 tors. eta vs tors. theta energy: -236.722 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: 10 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2598.490658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.490658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.490658 (E_RNA) where: Base-Base interactions energy: -1851.091 where: short stacking energy: -759.612 Base-Backbone interact. energy: -0.628 local terms energy: -746.771808 where: bonds (distance) C4'-P energy: -119.289 bonds (distance) P-C4' energy: -135.312 flat angles C4'-P-C4' energy: -148.806 flat angles P-C4'-P energy: -110.957 tors. eta vs tors. theta energy: -232.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2455.717270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.717270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.717270 (E_RNA) where: Base-Base interactions energy: -1756.841 where: short stacking energy: -723.205 Base-Backbone interact. energy: -2.154 local terms energy: -696.722463 where: bonds (distance) C4'-P energy: -108.410 bonds (distance) P-C4' energy: -123.987 flat angles C4'-P-C4' energy: -141.175 flat angles P-C4'-P energy: -99.849 tors. eta vs tors. theta energy: -223.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2431.605465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.605465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.605465 (E_RNA) where: Base-Base interactions energy: -1749.378 where: short stacking energy: -699.737 Base-Backbone interact. energy: 0.002 local terms energy: -682.229120 where: bonds (distance) C4'-P energy: -101.281 bonds (distance) P-C4' energy: -123.046 flat angles C4'-P-C4' energy: -145.514 flat angles P-C4'-P energy: -88.041 tors. eta vs tors. theta energy: -224.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2198.922860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.922860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.922860 (E_RNA) where: Base-Base interactions energy: -1538.744 where: short stacking energy: -637.131 Base-Backbone interact. energy: 0.824 local terms energy: -661.003603 where: bonds (distance) C4'-P energy: -123.267 bonds (distance) P-C4' energy: -114.060 flat angles C4'-P-C4' energy: -137.073 flat angles P-C4'-P energy: -92.166 tors. eta vs tors. theta energy: -194.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2193.057782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.057782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.057782 (E_RNA) where: Base-Base interactions energy: -1525.661 where: short stacking energy: -627.462 Base-Backbone interact. energy: -2.774 local terms energy: -664.622901 where: bonds (distance) C4'-P energy: -118.893 bonds (distance) P-C4' energy: -113.462 flat angles C4'-P-C4' energy: -136.612 flat angles P-C4'-P energy: -97.188 tors. eta vs tors. theta energy: -198.468 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: 2 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -2044.362763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.362763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.362763 (E_RNA) where: Base-Base interactions energy: -1452.491 where: short stacking energy: -585.068 Base-Backbone interact. energy: 0.686 local terms energy: -592.558385 where: bonds (distance) C4'-P energy: -112.379 bonds (distance) P-C4' energy: -96.821 flat angles C4'-P-C4' energy: -136.580 flat angles P-C4'-P energy: -85.376 tors. eta vs tors. theta energy: -161.401 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: 9, replica: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1718.092194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.092194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.092194 (E_RNA) where: Base-Base interactions energy: -1196.066 where: short stacking energy: -515.207 Base-Backbone interact. energy: -3.074 local terms energy: -518.952549 where: bonds (distance) C4'-P energy: -97.737 bonds (distance) P-C4' energy: -86.542 flat angles C4'-P-C4' energy: -119.335 flat angles P-C4'-P energy: -87.462 tors. eta vs tors. theta energy: -127.877 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: 6 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -754.606928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.606928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.606928 (E_RNA) where: Base-Base interactions energy: -408.430 where: short stacking energy: -231.887 Base-Backbone interact. energy: -0.582 local terms energy: -345.594958 where: bonds (distance) C4'-P energy: -108.160 bonds (distance) P-C4' energy: -103.751 flat angles C4'-P-C4' energy: -80.991 flat angles P-C4'-P energy: -59.732 tors. eta vs tors. theta energy: 7.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2717.889607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.889607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.889607 (E_RNA) where: Base-Base interactions energy: -1961.750 where: short stacking energy: -791.177 Base-Backbone interact. energy: -0.497 local terms energy: -755.642371 where: bonds (distance) C4'-P energy: -127.804 bonds (distance) P-C4' energy: -123.136 flat angles C4'-P-C4' energy: -152.721 flat angles P-C4'-P energy: -114.864 tors. eta vs tors. theta energy: -237.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2642.772827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.772827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.772827 (E_RNA) where: Base-Base interactions energy: -1882.444 where: short stacking energy: -763.442 Base-Backbone interact. energy: -2.515 local terms energy: -757.814153 where: bonds (distance) C4'-P energy: -122.536 bonds (distance) P-C4' energy: -131.446 flat angles C4'-P-C4' energy: -154.772 flat angles P-C4'-P energy: -114.236 tors. eta vs tors. theta energy: -234.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2542.042742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.042742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.042742 (E_RNA) where: Base-Base interactions energy: -1798.907 where: short stacking energy: -734.205 Base-Backbone interact. energy: -0.773 local terms energy: -742.362918 where: bonds (distance) C4'-P energy: -124.525 bonds (distance) P-C4' energy: -126.723 flat angles C4'-P-C4' energy: -156.983 flat angles P-C4'-P energy: -105.753 tors. eta vs tors. theta energy: -228.379 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: 1 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2485.585310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.585310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.585310 (E_RNA) where: Base-Base interactions energy: -1788.287 where: short stacking energy: -740.821 Base-Backbone interact. energy: -1.884 local terms energy: -695.413960 where: bonds (distance) C4'-P energy: -119.060 bonds (distance) P-C4' energy: -104.266 flat angles C4'-P-C4' energy: -151.442 flat angles P-C4'-P energy: -97.735 tors. eta vs tors. theta energy: -222.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2445.797939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.797939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.797939 (E_RNA) where: Base-Base interactions energy: -1736.319 where: short stacking energy: -694.421 Base-Backbone interact. energy: 0.903 local terms energy: -710.381483 where: bonds (distance) C4'-P energy: -119.436 bonds (distance) P-C4' energy: -125.358 flat angles C4'-P-C4' energy: -141.803 flat angles P-C4'-P energy: -99.620 tors. eta vs tors. theta energy: -224.165 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: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2191.913256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.913256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.913256 (E_RNA) where: Base-Base interactions energy: -1572.932 where: short stacking energy: -630.103 Base-Backbone interact. energy: -1.225 local terms energy: -617.756285 where: bonds (distance) C4'-P energy: -106.589 bonds (distance) P-C4' energy: -101.851 flat angles C4'-P-C4' energy: -133.879 flat angles P-C4'-P energy: -93.293 tors. eta vs tors. theta energy: -182.144 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: 427 Temperature: 1.200000 Total energy: -2078.218294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.218294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.218294 (E_RNA) where: Base-Base interactions energy: -1428.401 where: short stacking energy: -601.270 Base-Backbone interact. energy: -1.825 local terms energy: -647.992043 where: bonds (distance) C4'-P energy: -131.200 bonds (distance) P-C4' energy: -119.499 flat angles C4'-P-C4' energy: -122.222 flat angles P-C4'-P energy: -92.335 tors. eta vs tors. theta energy: -182.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -2021.538591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.538591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.538591 (E_RNA) where: Base-Base interactions energy: -1411.813 where: short stacking energy: -572.141 Base-Backbone interact. energy: -2.696 local terms energy: -607.028956 where: bonds (distance) C4'-P energy: -112.754 bonds (distance) P-C4' energy: -116.218 flat angles C4'-P-C4' energy: -134.754 flat angles P-C4'-P energy: -69.143 tors. eta vs tors. theta energy: -174.161 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: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1712.139118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.139118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.139118 (E_RNA) where: Base-Base interactions energy: -1196.375 where: short stacking energy: -482.022 Base-Backbone interact. energy: -1.051 local terms energy: -514.712883 where: bonds (distance) C4'-P energy: -108.220 bonds (distance) P-C4' energy: -110.152 flat angles C4'-P-C4' energy: -114.313 flat angles P-C4'-P energy: -66.606 tors. eta vs tors. theta energy: -115.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -740.533753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.533753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.533753 (E_RNA) where: Base-Base interactions energy: -389.291 where: short stacking energy: -202.547 Base-Backbone interact. energy: 2.668 local terms energy: -353.910524 where: bonds (distance) C4'-P energy: -116.309 bonds (distance) P-C4' energy: -89.552 flat angles C4'-P-C4' energy: -107.369 flat angles P-C4'-P energy: -44.502 tors. eta vs tors. theta energy: 3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2705.254214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.254214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.254214 (E_RNA) where: Base-Base interactions energy: -1952.476 where: short stacking energy: -789.973 Base-Backbone interact. energy: -3.923 local terms energy: -748.854873 where: bonds (distance) C4'-P energy: -125.403 bonds (distance) P-C4' energy: -141.767 flat angles C4'-P-C4' energy: -155.417 flat angles P-C4'-P energy: -97.271 tors. eta vs tors. theta energy: -228.997 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: 3 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2671.369432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.369432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.369432 (E_RNA) where: Base-Base interactions energy: -1918.298 where: short stacking energy: -779.093 Base-Backbone interact. energy: -0.082 local terms energy: -752.988783 where: bonds (distance) C4'-P energy: -128.748 bonds (distance) P-C4' energy: -122.335 flat angles C4'-P-C4' energy: -160.265 flat angles P-C4'-P energy: -106.932 tors. eta vs tors. theta energy: -234.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2565.548811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.548811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.548811 (E_RNA) where: Base-Base interactions energy: -1813.476 where: short stacking energy: -715.057 Base-Backbone interact. energy: -0.180 local terms energy: -751.893020 where: bonds (distance) C4'-P energy: -127.490 bonds (distance) P-C4' energy: -131.991 flat angles C4'-P-C4' energy: -156.544 flat angles P-C4'-P energy: -110.681 tors. eta vs tors. theta energy: -225.187 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: 4, replica: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2456.886033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.886033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.886033 (E_RNA) where: Base-Base interactions energy: -1742.257 where: short stacking energy: -727.035 Base-Backbone interact. energy: -1.646 local terms energy: -712.983193 where: bonds (distance) C4'-P energy: -126.234 bonds (distance) P-C4' energy: -115.759 flat angles C4'-P-C4' energy: -143.672 flat angles P-C4'-P energy: -104.205 tors. eta vs tors. theta energy: -223.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2522.765663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.765663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.765663 (E_RNA) where: Base-Base interactions energy: -1804.240 where: short stacking energy: -722.144 Base-Backbone interact. energy: -1.153 local terms energy: -717.372800 where: bonds (distance) C4'-P energy: -134.077 bonds (distance) P-C4' energy: -116.139 flat angles C4'-P-C4' energy: -147.129 flat angles P-C4'-P energy: -96.071 tors. eta vs tors. theta energy: -223.957 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: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2239.960904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.960904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.960904 (E_RNA) where: Base-Base interactions energy: -1599.316 where: short stacking energy: -633.452 Base-Backbone interact. energy: -3.544 local terms energy: -637.100994 where: bonds (distance) C4'-P energy: -107.459 bonds (distance) P-C4' energy: -118.691 flat angles C4'-P-C4' energy: -128.727 flat angles P-C4'-P energy: -101.542 tors. eta vs tors. theta energy: -180.682 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: 428 Temperature: 1.200000 Total energy: -2143.774126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.774126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.774126 (E_RNA) where: Base-Base interactions energy: -1517.157 where: short stacking energy: -623.926 Base-Backbone interact. energy: -2.489 local terms energy: -624.128249 where: bonds (distance) C4'-P energy: -114.874 bonds (distance) P-C4' energy: -102.361 flat angles C4'-P-C4' energy: -127.829 flat angles P-C4'-P energy: -97.370 tors. eta vs tors. theta energy: -181.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1965.237897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.237897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.237897 (E_RNA) where: Base-Base interactions energy: -1372.042 where: short stacking energy: -572.254 Base-Backbone interact. energy: -1.573 local terms energy: -591.622505 where: bonds (distance) C4'-P energy: -105.229 bonds (distance) P-C4' energy: -108.193 flat angles C4'-P-C4' energy: -130.657 flat angles P-C4'-P energy: -82.331 tors. eta vs tors. theta energy: -165.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1766.427999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.427999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.427999 (E_RNA) where: Base-Base interactions energy: -1225.571 where: short stacking energy: -510.460 Base-Backbone interact. energy: 2.236 local terms energy: -543.092988 where: bonds (distance) C4'-P energy: -109.819 bonds (distance) P-C4' energy: -111.070 flat angles C4'-P-C4' energy: -110.763 flat angles P-C4'-P energy: -77.641 tors. eta vs tors. theta energy: -133.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -747.737514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.737514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.737514 (E_RNA) where: Base-Base interactions energy: -379.185 where: short stacking energy: -197.747 Base-Backbone interact. energy: 2.058 local terms energy: -370.610693 where: bonds (distance) C4'-P energy: -101.382 bonds (distance) P-C4' energy: -117.020 flat angles C4'-P-C4' energy: -97.211 flat angles P-C4'-P energy: -48.069 tors. eta vs tors. theta energy: -6.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2705.643055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.643055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.643055 (E_RNA) where: Base-Base interactions energy: -1945.137 where: short stacking energy: -776.827 Base-Backbone interact. energy: -4.991 local terms energy: -755.515743 where: bonds (distance) C4'-P energy: -137.642 bonds (distance) P-C4' energy: -134.492 flat angles C4'-P-C4' energy: -157.136 flat angles P-C4'-P energy: -88.654 tors. eta vs tors. theta energy: -237.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2662.131625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.131625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.131625 (E_RNA) where: Base-Base interactions energy: -1921.153 where: short stacking energy: -766.558 Base-Backbone interact. energy: -1.989 local terms energy: -738.989204 where: bonds (distance) C4'-P energy: -119.087 bonds (distance) P-C4' energy: -120.217 flat angles C4'-P-C4' energy: -153.025 flat angles P-C4'-P energy: -112.361 tors. eta vs tors. theta energy: -234.299 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: 10 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2550.461058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.461058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.461058 (E_RNA) where: Base-Base interactions energy: -1817.737 where: short stacking energy: -750.021 Base-Backbone interact. energy: -0.988 local terms energy: -731.736254 where: bonds (distance) C4'-P energy: -127.157 bonds (distance) P-C4' energy: -129.072 flat angles C4'-P-C4' energy: -154.246 flat angles P-C4'-P energy: -96.377 tors. eta vs tors. theta energy: -224.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2505.596618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.596618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.596618 (E_RNA) where: Base-Base interactions energy: -1768.558 where: short stacking energy: -721.732 Base-Backbone interact. energy: -2.446 local terms energy: -734.592987 where: bonds (distance) C4'-P energy: -139.360 bonds (distance) P-C4' energy: -111.686 flat angles C4'-P-C4' energy: -165.101 flat angles P-C4'-P energy: -91.139 tors. eta vs tors. theta energy: -227.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2397.823255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.823255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.823255 (E_RNA) where: Base-Base interactions energy: -1706.284 where: short stacking energy: -692.303 Base-Backbone interact. energy: 3.210 local terms energy: -694.749823 where: bonds (distance) C4'-P energy: -127.526 bonds (distance) P-C4' energy: -105.382 flat angles C4'-P-C4' energy: -145.777 flat angles P-C4'-P energy: -96.111 tors. eta vs tors. theta energy: -219.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2264.615868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.615868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.615868 (E_RNA) where: Base-Base interactions energy: -1592.144 where: short stacking energy: -647.914 Base-Backbone interact. energy: -0.894 local terms energy: -671.577754 where: bonds (distance) C4'-P energy: -117.068 bonds (distance) P-C4' energy: -122.667 flat angles C4'-P-C4' energy: -141.740 flat angles P-C4'-P energy: -97.540 tors. eta vs tors. theta energy: -192.563 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: 2 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2114.760220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.760220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.760220 (E_RNA) where: Base-Base interactions energy: -1476.576 where: short stacking energy: -611.887 Base-Backbone interact. energy: -2.388 local terms energy: -635.796364 where: bonds (distance) C4'-P energy: -103.176 bonds (distance) P-C4' energy: -118.832 flat angles C4'-P-C4' energy: -130.117 flat angles P-C4'-P energy: -98.863 tors. eta vs tors. theta energy: -184.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1975.771730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.771730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.771730 (E_RNA) where: Base-Base interactions energy: -1360.409 where: short stacking energy: -565.218 Base-Backbone interact. energy: 0.212 local terms energy: -615.574870 where: bonds (distance) C4'-P energy: -106.160 bonds (distance) P-C4' energy: -121.526 flat angles C4'-P-C4' energy: -137.099 flat angles P-C4'-P energy: -77.324 tors. eta vs tors. theta energy: -173.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1760.613258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.613258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.613258 (E_RNA) where: Base-Base interactions energy: -1213.864 where: short stacking energy: -506.511 Base-Backbone interact. energy: -1.855 local terms energy: -544.893983 where: bonds (distance) C4'-P energy: -98.609 bonds (distance) P-C4' energy: -104.068 flat angles C4'-P-C4' energy: -128.726 flat angles P-C4'-P energy: -85.284 tors. eta vs tors. theta energy: -128.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -736.310066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.310066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.310066 (E_RNA) where: Base-Base interactions energy: -366.917 where: short stacking energy: -206.380 Base-Backbone interact. energy: -2.648 local terms energy: -366.745399 where: bonds (distance) C4'-P energy: -94.596 bonds (distance) P-C4' energy: -102.159 flat angles C4'-P-C4' energy: -104.330 flat angles P-C4'-P energy: -66.073 tors. eta vs tors. theta energy: 0.413 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: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2725.733587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.733587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.733587 (E_RNA) where: Base-Base interactions energy: -1954.233 where: short stacking energy: -804.603 Base-Backbone interact. energy: -1.701 local terms energy: -769.799658 where: bonds (distance) C4'-P energy: -131.066 bonds (distance) P-C4' energy: -132.040 flat angles C4'-P-C4' energy: -163.959 flat angles P-C4'-P energy: -107.482 tors. eta vs tors. theta energy: -235.252 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: 3 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2631.347751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.347751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.347751 (E_RNA) where: Base-Base interactions energy: -1886.318 where: short stacking energy: -752.362 Base-Backbone interact. energy: -1.896 local terms energy: -743.134160 where: bonds (distance) C4'-P energy: -127.704 bonds (distance) P-C4' energy: -133.053 flat angles C4'-P-C4' energy: -155.872 flat angles P-C4'-P energy: -105.603 tors. eta vs tors. theta energy: -220.903 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: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2582.315568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.315568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.315568 (E_RNA) where: Base-Base interactions energy: -1826.550 where: short stacking energy: -764.313 Base-Backbone interact. energy: -1.656 local terms energy: -754.110015 where: bonds (distance) C4'-P energy: -123.989 bonds (distance) P-C4' energy: -119.491 flat angles C4'-P-C4' energy: -159.216 flat angles P-C4'-P energy: -114.096 tors. eta vs tors. theta energy: -237.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2485.877552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.877552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.877552 (E_RNA) where: Base-Base interactions energy: -1766.405 where: short stacking energy: -711.053 Base-Backbone interact. energy: -2.649 local terms energy: -716.823707 where: bonds (distance) C4'-P energy: -123.606 bonds (distance) P-C4' energy: -119.015 flat angles C4'-P-C4' energy: -150.450 flat angles P-C4'-P energy: -99.059 tors. eta vs tors. theta energy: -224.693 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: 430 Temperature: 1.100000 Total energy: -2418.707431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.707431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.707431 (E_RNA) where: Base-Base interactions energy: -1703.573 where: short stacking energy: -687.992 Base-Backbone interact. energy: -1.873 local terms energy: -713.261913 where: bonds (distance) C4'-P energy: -126.312 bonds (distance) P-C4' energy: -116.280 flat angles C4'-P-C4' energy: -154.766 flat angles P-C4'-P energy: -103.877 tors. eta vs tors. theta energy: -212.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2224.590942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.590942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.590942 (E_RNA) where: Base-Base interactions energy: -1583.030 where: short stacking energy: -659.827 Base-Backbone interact. energy: -2.687 local terms energy: -638.874290 where: bonds (distance) C4'-P energy: -105.960 bonds (distance) P-C4' energy: -111.786 flat angles C4'-P-C4' energy: -134.545 flat angles P-C4'-P energy: -101.998 tors. eta vs tors. theta energy: -184.585 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: 7, replica: 2 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2139.899046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.899046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.899046 (E_RNA) where: Base-Base interactions energy: -1501.374 where: short stacking energy: -617.430 Base-Backbone interact. energy: -3.475 local terms energy: -635.050408 where: bonds (distance) C4'-P energy: -117.274 bonds (distance) P-C4' energy: -109.324 flat angles C4'-P-C4' energy: -139.164 flat angles P-C4'-P energy: -78.226 tors. eta vs tors. theta energy: -191.062 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: 5 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1979.867348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.867348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.867348 (E_RNA) where: Base-Base interactions energy: -1390.748 where: short stacking energy: -572.744 Base-Backbone interact. energy: -1.442 local terms energy: -587.677061 where: bonds (distance) C4'-P energy: -115.189 bonds (distance) P-C4' energy: -104.218 flat angles C4'-P-C4' energy: -119.684 flat angles P-C4'-P energy: -78.068 tors. eta vs tors. theta energy: -170.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1710.871633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.871633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.871633 (E_RNA) where: Base-Base interactions energy: -1192.721 where: short stacking energy: -485.263 Base-Backbone interact. energy: -2.595 local terms energy: -515.555694 where: bonds (distance) C4'-P energy: -86.096 bonds (distance) P-C4' energy: -126.807 flat angles C4'-P-C4' energy: -115.886 flat angles P-C4'-P energy: -56.953 tors. eta vs tors. theta energy: -129.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -771.160077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.160077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.160077 (E_RNA) where: Base-Base interactions energy: -405.359 where: short stacking energy: -222.686 Base-Backbone interact. energy: 0.516 local terms energy: -366.317641 where: bonds (distance) C4'-P energy: -123.285 bonds (distance) P-C4' energy: -106.570 flat angles C4'-P-C4' energy: -88.944 flat angles P-C4'-P energy: -51.870 tors. eta vs tors. theta energy: 4.352 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: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2707.522875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.522875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.522875 (E_RNA) where: Base-Base interactions energy: -1935.095 where: short stacking energy: -779.598 Base-Backbone interact. energy: -3.860 local terms energy: -768.568137 where: bonds (distance) C4'-P energy: -124.109 bonds (distance) P-C4' energy: -129.983 flat angles C4'-P-C4' energy: -166.248 flat angles P-C4'-P energy: -112.088 tors. eta vs tors. theta energy: -236.140 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: 2, replica: 3 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2624.222559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.222559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.222559 (E_RNA) where: Base-Base interactions energy: -1888.818 where: short stacking energy: -761.123 Base-Backbone interact. energy: 2.585 local terms energy: -737.989206 where: bonds (distance) C4'-P energy: -118.403 bonds (distance) P-C4' energy: -133.199 flat angles C4'-P-C4' energy: -154.336 flat angles P-C4'-P energy: -106.739 tors. eta vs tors. theta energy: -225.312 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: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2570.017525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.017525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.017525 (E_RNA) where: Base-Base interactions energy: -1825.751 where: short stacking energy: -735.384 Base-Backbone interact. energy: -0.561 local terms energy: -743.706209 where: bonds (distance) C4'-P energy: -131.780 bonds (distance) P-C4' energy: -129.378 flat angles C4'-P-C4' energy: -158.591 flat angles P-C4'-P energy: -92.215 tors. eta vs tors. theta energy: -231.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2489.762280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.762280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.762280 (E_RNA) where: Base-Base interactions energy: -1762.326 where: short stacking energy: -731.692 Base-Backbone interact. energy: -0.752 local terms energy: -726.684081 where: bonds (distance) C4'-P energy: -141.542 bonds (distance) P-C4' energy: -121.798 flat angles C4'-P-C4' energy: -147.221 flat angles P-C4'-P energy: -89.230 tors. eta vs tors. theta energy: -226.893 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: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2408.501346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.501346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.501346 (E_RNA) where: Base-Base interactions energy: -1716.727 where: short stacking energy: -732.886 Base-Backbone interact. energy: -1.322 local terms energy: -690.451732 where: bonds (distance) C4'-P energy: -110.429 bonds (distance) P-C4' energy: -106.875 flat angles C4'-P-C4' energy: -153.556 flat angles P-C4'-P energy: -93.950 tors. eta vs tors. theta energy: -225.642 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: 2 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2204.411863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.411863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.411863 (E_RNA) where: Base-Base interactions energy: -1554.195 where: short stacking energy: -637.935 Base-Backbone interact. energy: 1.024 local terms energy: -651.241032 where: bonds (distance) C4'-P energy: -113.338 bonds (distance) P-C4' energy: -108.673 flat angles C4'-P-C4' energy: -149.284 flat angles P-C4'-P energy: -89.224 tors. eta vs tors. theta energy: -190.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2232.613061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.613061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.613061 (E_RNA) where: Base-Base interactions energy: -1553.093 where: short stacking energy: -642.264 Base-Backbone interact. energy: -0.580 local terms energy: -678.939810 where: bonds (distance) C4'-P energy: -122.051 bonds (distance) P-C4' energy: -122.522 flat angles C4'-P-C4' energy: -146.796 flat angles P-C4'-P energy: -90.465 tors. eta vs tors. theta energy: -197.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -2070.900065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.900065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.900065 (E_RNA) where: Base-Base interactions energy: -1465.396 where: short stacking energy: -596.665 Base-Backbone interact. energy: -1.143 local terms energy: -604.361335 where: bonds (distance) C4'-P energy: -106.779 bonds (distance) P-C4' energy: -98.316 flat angles C4'-P-C4' energy: -131.226 flat angles P-C4'-P energy: -91.826 tors. eta vs tors. theta energy: -176.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1820.859111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.859111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.859111 (E_RNA) where: Base-Base interactions energy: -1259.464 where: short stacking energy: -521.175 Base-Backbone interact. energy: 1.777 local terms energy: -563.172821 where: bonds (distance) C4'-P energy: -120.249 bonds (distance) P-C4' energy: -99.983 flat angles C4'-P-C4' energy: -108.959 flat angles P-C4'-P energy: -87.208 tors. eta vs tors. theta energy: -146.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -779.644948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.644948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.644948 (E_RNA) where: Base-Base interactions energy: -395.110 where: short stacking energy: -212.275 Base-Backbone interact. energy: -1.955 local terms energy: -382.579624 where: bonds (distance) C4'-P energy: -90.666 bonds (distance) P-C4' energy: -110.241 flat angles C4'-P-C4' energy: -114.274 flat angles P-C4'-P energy: -70.968 tors. eta vs tors. theta energy: 3.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2678.618999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.618999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.618999 (E_RNA) where: Base-Base interactions energy: -1933.765 where: short stacking energy: -766.375 Base-Backbone interact. energy: -0.666 local terms energy: -744.188713 where: bonds (distance) C4'-P energy: -132.837 bonds (distance) P-C4' energy: -127.166 flat angles C4'-P-C4' energy: -146.204 flat angles P-C4'-P energy: -113.967 tors. eta vs tors. theta energy: -224.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2626.216563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.216563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.216563 (E_RNA) where: Base-Base interactions energy: -1885.920 where: short stacking energy: -749.328 Base-Backbone interact. energy: -2.948 local terms energy: -737.348459 where: bonds (distance) C4'-P energy: -114.622 bonds (distance) P-C4' energy: -140.189 flat angles C4'-P-C4' energy: -152.510 flat angles P-C4'-P energy: -100.926 tors. eta vs tors. theta energy: -229.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2543.263642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.263642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.263642 (E_RNA) where: Base-Base interactions energy: -1824.201 where: short stacking energy: -733.910 Base-Backbone interact. energy: -1.912 local terms energy: -717.150311 where: bonds (distance) C4'-P energy: -139.936 bonds (distance) P-C4' energy: -107.380 flat angles C4'-P-C4' energy: -140.293 flat angles P-C4'-P energy: -105.030 tors. eta vs tors. theta energy: -224.512 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: 432 Temperature: 1.050000 Total energy: -2520.713007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.713007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.713007 (E_RNA) where: Base-Base interactions energy: -1796.533 where: short stacking energy: -726.384 Base-Backbone interact. energy: -0.422 local terms energy: -723.758409 where: bonds (distance) C4'-P energy: -127.900 bonds (distance) P-C4' energy: -119.759 flat angles C4'-P-C4' energy: -158.346 flat angles P-C4'-P energy: -102.328 tors. eta vs tors. theta energy: -215.425 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: 1 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2406.797468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.797468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.797468 (E_RNA) where: Base-Base interactions energy: -1705.895 where: short stacking energy: -700.968 Base-Backbone interact. energy: -2.562 local terms energy: -698.340274 where: bonds (distance) C4'-P energy: -112.076 bonds (distance) P-C4' energy: -124.088 flat angles C4'-P-C4' energy: -143.884 flat angles P-C4'-P energy: -103.869 tors. eta vs tors. theta energy: -214.424 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: 2 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2228.751541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.751541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.751541 (E_RNA) where: Base-Base interactions energy: -1554.585 where: short stacking energy: -630.863 Base-Backbone interact. energy: 3.827 local terms energy: -677.993990 where: bonds (distance) C4'-P energy: -119.957 bonds (distance) P-C4' energy: -112.642 flat angles C4'-P-C4' energy: -149.229 flat angles P-C4'-P energy: -103.084 tors. eta vs tors. theta energy: -193.081 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: 432 Temperature: 1.200000 Total energy: -2200.194082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.194082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.194082 (E_RNA) where: Base-Base interactions energy: -1585.465 where: short stacking energy: -654.399 Base-Backbone interact. energy: -0.909 local terms energy: -613.820290 where: bonds (distance) C4'-P energy: -100.152 bonds (distance) P-C4' energy: -111.530 flat angles C4'-P-C4' energy: -139.123 flat angles P-C4'-P energy: -80.743 tors. eta vs tors. theta energy: -182.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -2025.257905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.257905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.257905 (E_RNA) where: Base-Base interactions energy: -1414.202 where: short stacking energy: -579.089 Base-Backbone interact. energy: -0.962 local terms energy: -610.093854 where: bonds (distance) C4'-P energy: -101.306 bonds (distance) P-C4' energy: -125.014 flat angles C4'-P-C4' energy: -121.356 flat angles P-C4'-P energy: -92.505 tors. eta vs tors. theta energy: -169.913 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: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1824.237318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.237318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.237318 (E_RNA) where: Base-Base interactions energy: -1239.331 where: short stacking energy: -503.535 Base-Backbone interact. energy: 0.215 local terms energy: -585.121836 where: bonds (distance) C4'-P energy: -108.750 bonds (distance) P-C4' energy: -107.909 flat angles C4'-P-C4' energy: -145.526 flat angles P-C4'-P energy: -80.428 tors. eta vs tors. theta energy: -142.509 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: 6 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -744.518863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.518863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.518863 (E_RNA) where: Base-Base interactions energy: -395.459 where: short stacking energy: -199.585 Base-Backbone interact. energy: 1.658 local terms energy: -350.717870 where: bonds (distance) C4'-P energy: -82.236 bonds (distance) P-C4' energy: -111.683 flat angles C4'-P-C4' energy: -95.538 flat angles P-C4'-P energy: -66.747 tors. eta vs tors. theta energy: 5.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2690.676325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.676325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.676325 (E_RNA) where: Base-Base interactions energy: -1949.463 where: short stacking energy: -781.270 Base-Backbone interact. energy: -0.546 local terms energy: -740.667103 where: bonds (distance) C4'-P energy: -126.272 bonds (distance) P-C4' energy: -123.219 flat angles C4'-P-C4' energy: -161.383 flat angles P-C4'-P energy: -101.477 tors. eta vs tors. theta energy: -228.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2640.926984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.926984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.926984 (E_RNA) where: Base-Base interactions energy: -1898.664 where: short stacking energy: -770.875 Base-Backbone interact. energy: -1.243 local terms energy: -741.019877 where: bonds (distance) C4'-P energy: -115.244 bonds (distance) P-C4' energy: -134.384 flat angles C4'-P-C4' energy: -149.230 flat angles P-C4'-P energy: -111.061 tors. eta vs tors. theta energy: -231.102 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: 9 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2578.436026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.436026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.436026 (E_RNA) where: Base-Base interactions energy: -1812.236 where: short stacking energy: -749.428 Base-Backbone interact. energy: -2.371 local terms energy: -763.829126 where: bonds (distance) C4'-P energy: -135.697 bonds (distance) P-C4' energy: -131.056 flat angles C4'-P-C4' energy: -159.378 flat angles P-C4'-P energy: -109.086 tors. eta vs tors. theta energy: -228.612 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: 433 Temperature: 1.050000 Total energy: -2524.658729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.658729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.658729 (E_RNA) where: Base-Base interactions energy: -1793.314 where: short stacking energy: -749.497 Base-Backbone interact. energy: 2.357 local terms energy: -733.702440 where: bonds (distance) C4'-P energy: -117.313 bonds (distance) P-C4' energy: -139.744 flat angles C4'-P-C4' energy: -149.971 flat angles P-C4'-P energy: -99.819 tors. eta vs tors. theta energy: -226.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2411.226202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.226202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.226202 (E_RNA) where: Base-Base interactions energy: -1716.611 where: short stacking energy: -686.097 Base-Backbone interact. energy: -1.954 local terms energy: -692.660811 where: bonds (distance) C4'-P energy: -127.669 bonds (distance) P-C4' energy: -119.424 flat angles C4'-P-C4' energy: -142.958 flat angles P-C4'-P energy: -93.605 tors. eta vs tors. theta energy: -209.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2184.455974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.455974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.455974 (E_RNA) where: Base-Base interactions energy: -1540.418 where: short stacking energy: -641.332 Base-Backbone interact. energy: 4.361 local terms energy: -648.398847 where: bonds (distance) C4'-P energy: -115.736 bonds (distance) P-C4' energy: -108.885 flat angles C4'-P-C4' energy: -136.496 flat angles P-C4'-P energy: -96.656 tors. eta vs tors. theta energy: -190.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2194.360730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.360730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.360730 (E_RNA) where: Base-Base interactions energy: -1559.477 where: short stacking energy: -642.011 Base-Backbone interact. energy: -0.091 local terms energy: -634.792872 where: bonds (distance) C4'-P energy: -98.891 bonds (distance) P-C4' energy: -126.541 flat angles C4'-P-C4' energy: -134.917 flat angles P-C4'-P energy: -88.304 tors. eta vs tors. theta energy: -186.140 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: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1960.968458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.968458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.968458 (E_RNA) where: Base-Base interactions energy: -1398.559 where: short stacking energy: -583.131 Base-Backbone interact. energy: 4.808 local terms energy: -567.217071 where: bonds (distance) C4'-P energy: -106.383 bonds (distance) P-C4' energy: -92.755 flat angles C4'-P-C4' energy: -127.723 flat angles P-C4'-P energy: -77.008 tors. eta vs tors. theta energy: -163.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1831.763813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.763813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.763813 (E_RNA) where: Base-Base interactions energy: -1266.338 where: short stacking energy: -523.862 Base-Backbone interact. energy: -1.410 local terms energy: -564.015359 where: bonds (distance) C4'-P energy: -106.495 bonds (distance) P-C4' energy: -120.846 flat angles C4'-P-C4' energy: -115.041 flat angles P-C4'-P energy: -79.759 tors. eta vs tors. theta energy: -141.874 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: 10, replica: 6 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -794.183613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.183613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.183613 (E_RNA) where: Base-Base interactions energy: -425.651 where: short stacking energy: -210.589 Base-Backbone interact. energy: 1.036 local terms energy: -369.568407 where: bonds (distance) C4'-P energy: -107.512 bonds (distance) P-C4' energy: -129.121 flat angles C4'-P-C4' energy: -69.977 flat angles P-C4'-P energy: -61.052 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: 3 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2703.334973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.334973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.334973 (E_RNA) where: Base-Base interactions energy: -1948.940 where: short stacking energy: -798.889 Base-Backbone interact. energy: 1.116 local terms energy: -755.510811 where: bonds (distance) C4'-P energy: -119.998 bonds (distance) P-C4' energy: -117.633 flat angles C4'-P-C4' energy: -166.125 flat angles P-C4'-P energy: -111.045 tors. eta vs tors. theta energy: -240.710 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: 8 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2667.801331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.801331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.801331 (E_RNA) where: Base-Base interactions energy: -1904.650 where: short stacking energy: -759.903 Base-Backbone interact. energy: -0.361 local terms energy: -762.790687 where: bonds (distance) C4'-P energy: -127.478 bonds (distance) P-C4' energy: -139.879 flat angles C4'-P-C4' energy: -156.847 flat angles P-C4'-P energy: -107.046 tors. eta vs tors. theta energy: -231.539 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: 9 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2564.215540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.215540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.215540 (E_RNA) where: Base-Base interactions energy: -1834.746 where: short stacking energy: -759.435 Base-Backbone interact. energy: -1.156 local terms energy: -728.313344 where: bonds (distance) C4'-P energy: -126.755 bonds (distance) P-C4' energy: -133.437 flat angles C4'-P-C4' energy: -146.046 flat angles P-C4'-P energy: -93.872 tors. eta vs tors. theta energy: -228.203 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: 10 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2535.879225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.879225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.879225 (E_RNA) where: Base-Base interactions energy: -1818.736 where: short stacking energy: -751.272 Base-Backbone interact. energy: 3.255 local terms energy: -720.398181 where: bonds (distance) C4'-P energy: -104.485 bonds (distance) P-C4' energy: -118.035 flat angles C4'-P-C4' energy: -161.565 flat angles P-C4'-P energy: -109.744 tors. eta vs tors. theta energy: -226.570 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: 1 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2414.247611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.247611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.247611 (E_RNA) where: Base-Base interactions energy: -1710.861 where: short stacking energy: -694.536 Base-Backbone interact. energy: -2.865 local terms energy: -700.521471 where: bonds (distance) C4'-P energy: -115.847 bonds (distance) P-C4' energy: -125.116 flat angles C4'-P-C4' energy: -158.280 flat angles P-C4'-P energy: -87.178 tors. eta vs tors. theta energy: -214.100 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: 2 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2250.580789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.580789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.580789 (E_RNA) where: Base-Base interactions energy: -1562.602 where: short stacking energy: -666.949 Base-Backbone interact. energy: -2.894 local terms energy: -685.084132 where: bonds (distance) C4'-P energy: -110.748 bonds (distance) P-C4' energy: -135.566 flat angles C4'-P-C4' energy: -134.962 flat angles P-C4'-P energy: -101.746 tors. eta vs tors. theta energy: -202.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2216.699118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.699118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.699118 (E_RNA) where: Base-Base interactions energy: -1566.219 where: short stacking energy: -652.405 Base-Backbone interact. energy: -0.506 local terms energy: -649.973361 where: bonds (distance) C4'-P energy: -116.338 bonds (distance) P-C4' energy: -116.486 flat angles C4'-P-C4' energy: -135.838 flat angles P-C4'-P energy: -95.550 tors. eta vs tors. theta energy: -185.761 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: 5 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1958.700787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.700787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.700787 (E_RNA) where: Base-Base interactions energy: -1381.333 where: short stacking energy: -567.063 Base-Backbone interact. energy: -1.217 local terms energy: -576.150214 where: bonds (distance) C4'-P energy: -122.518 bonds (distance) P-C4' energy: -91.542 flat angles C4'-P-C4' energy: -125.162 flat angles P-C4'-P energy: -70.006 tors. eta vs tors. theta energy: -166.922 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: 9, replica: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1749.986412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.986412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.986412 (E_RNA) where: Base-Base interactions energy: -1227.677 where: short stacking energy: -501.522 Base-Backbone interact. energy: -1.396 local terms energy: -520.912863 where: bonds (distance) C4'-P energy: -92.054 bonds (distance) P-C4' energy: -103.282 flat angles C4'-P-C4' energy: -117.211 flat angles P-C4'-P energy: -68.094 tors. eta vs tors. theta energy: -140.273 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: 6 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -759.246501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.246501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.246501 (E_RNA) where: Base-Base interactions energy: -400.264 where: short stacking energy: -224.016 Base-Backbone interact. energy: 2.228 local terms energy: -361.209907 where: bonds (distance) C4'-P energy: -103.593 bonds (distance) P-C4' energy: -116.927 flat angles C4'-P-C4' energy: -86.393 flat angles P-C4'-P energy: -59.294 tors. eta vs tors. theta energy: 4.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2701.678246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.678246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.678246 (E_RNA) where: Base-Base interactions energy: -1947.354 where: short stacking energy: -792.361 Base-Backbone interact. energy: -1.207 local terms energy: -753.117312 where: bonds (distance) C4'-P energy: -126.732 bonds (distance) P-C4' energy: -130.477 flat angles C4'-P-C4' energy: -156.198 flat angles P-C4'-P energy: -106.911 tors. eta vs tors. theta energy: -232.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2624.247880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.247880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.247880 (E_RNA) where: Base-Base interactions energy: -1861.104 where: short stacking energy: -766.841 Base-Backbone interact. energy: -0.830 local terms energy: -762.313828 where: bonds (distance) C4'-P energy: -131.002 bonds (distance) P-C4' energy: -136.983 flat angles C4'-P-C4' energy: -148.522 flat angles P-C4'-P energy: -103.701 tors. eta vs tors. theta energy: -242.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2622.708035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.708035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.708035 (E_RNA) where: Base-Base interactions energy: -1879.589 where: short stacking energy: -745.216 Base-Backbone interact. energy: 0.399 local terms energy: -743.518339 where: bonds (distance) C4'-P energy: -120.373 bonds (distance) P-C4' energy: -136.541 flat angles C4'-P-C4' energy: -160.415 flat angles P-C4'-P energy: -96.548 tors. eta vs tors. theta energy: -229.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2502.117150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.117150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.117150 (E_RNA) where: Base-Base interactions energy: -1744.446 where: short stacking energy: -723.956 Base-Backbone interact. energy: -4.184 local terms energy: -753.486695 where: bonds (distance) C4'-P energy: -140.982 bonds (distance) P-C4' energy: -123.045 flat angles C4'-P-C4' energy: -147.370 flat angles P-C4'-P energy: -108.877 tors. eta vs tors. theta energy: -233.213 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: 1 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2442.561488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.561488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.561488 (E_RNA) where: Base-Base interactions energy: -1717.842 where: short stacking energy: -718.559 Base-Backbone interact. energy: -0.088 local terms energy: -724.631457 where: bonds (distance) C4'-P energy: -107.685 bonds (distance) P-C4' energy: -119.001 flat angles C4'-P-C4' energy: -159.910 flat angles P-C4'-P energy: -109.916 tors. eta vs tors. theta energy: -228.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2197.875393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.875393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.875393 (E_RNA) where: Base-Base interactions energy: -1554.625 where: short stacking energy: -654.737 Base-Backbone interact. energy: -3.140 local terms energy: -640.110372 where: bonds (distance) C4'-P energy: -104.786 bonds (distance) P-C4' energy: -106.158 flat angles C4'-P-C4' energy: -143.877 flat angles P-C4'-P energy: -89.157 tors. eta vs tors. theta energy: -196.131 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: 4 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2191.104801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.104801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.104801 (E_RNA) where: Base-Base interactions energy: -1549.953 where: short stacking energy: -621.457 Base-Backbone interact. energy: -1.381 local terms energy: -639.770745 where: bonds (distance) C4'-P energy: -120.344 bonds (distance) P-C4' energy: -124.853 flat angles C4'-P-C4' energy: -122.792 flat angles P-C4'-P energy: -93.707 tors. eta vs tors. theta energy: -178.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -2016.130479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.130479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.130479 (E_RNA) where: Base-Base interactions energy: -1405.610 where: short stacking energy: -581.887 Base-Backbone interact. energy: 0.129 local terms energy: -610.649578 where: bonds (distance) C4'-P energy: -106.586 bonds (distance) P-C4' energy: -111.920 flat angles C4'-P-C4' energy: -128.587 flat angles P-C4'-P energy: -88.047 tors. eta vs tors. theta energy: -175.509 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: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1778.602874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.602874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.602874 (E_RNA) where: Base-Base interactions energy: -1243.190 where: short stacking energy: -523.930 Base-Backbone interact. energy: -0.777 local terms energy: -534.635683 where: bonds (distance) C4'-P energy: -103.508 bonds (distance) P-C4' energy: -111.628 flat angles C4'-P-C4' energy: -115.996 flat angles P-C4'-P energy: -67.212 tors. eta vs tors. theta energy: -136.293 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: 10, replica: 6 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -790.193719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.193719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.193719 (E_RNA) where: Base-Base interactions energy: -381.789 where: short stacking energy: -216.212 Base-Backbone interact. energy: -0.804 local terms energy: -407.600892 where: bonds (distance) C4'-P energy: -116.925 bonds (distance) P-C4' energy: -120.527 flat angles C4'-P-C4' energy: -93.655 flat angles P-C4'-P energy: -63.323 tors. eta vs tors. theta energy: -13.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2694.423210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.423210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.423210 (E_RNA) where: Base-Base interactions energy: -1920.462 where: short stacking energy: -768.542 Base-Backbone interact. energy: -2.767 local terms energy: -771.193488 where: bonds (distance) C4'-P energy: -133.402 bonds (distance) P-C4' energy: -128.253 flat angles C4'-P-C4' energy: -157.833 flat angles P-C4'-P energy: -115.481 tors. eta vs tors. theta energy: -236.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2623.170373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.170373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.170373 (E_RNA) where: Base-Base interactions energy: -1849.663 where: short stacking energy: -752.758 Base-Backbone interact. energy: -1.391 local terms energy: -772.116323 where: bonds (distance) C4'-P energy: -128.698 bonds (distance) P-C4' energy: -137.592 flat angles C4'-P-C4' energy: -157.424 flat angles P-C4'-P energy: -113.087 tors. eta vs tors. theta energy: -235.315 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: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2621.632803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.632803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.632803 (E_RNA) where: Base-Base interactions energy: -1871.348 where: short stacking energy: -750.871 Base-Backbone interact. energy: -4.594 local terms energy: -745.690361 where: bonds (distance) C4'-P energy: -121.456 bonds (distance) P-C4' energy: -122.592 flat angles C4'-P-C4' energy: -159.887 flat angles P-C4'-P energy: -112.355 tors. eta vs tors. theta energy: -229.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2533.200840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.200840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.200840 (E_RNA) where: Base-Base interactions energy: -1784.717 where: short stacking energy: -731.426 Base-Backbone interact. energy: 1.373 local terms energy: -749.856883 where: bonds (distance) C4'-P energy: -123.965 bonds (distance) P-C4' energy: -126.748 flat angles C4'-P-C4' energy: -162.861 flat angles P-C4'-P energy: -103.484 tors. eta vs tors. theta energy: -232.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2406.772677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.772677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.772677 (E_RNA) where: Base-Base interactions energy: -1711.092 where: short stacking energy: -697.944 Base-Backbone interact. energy: 0.744 local terms energy: -696.424582 where: bonds (distance) C4'-P energy: -126.814 bonds (distance) P-C4' energy: -123.057 flat angles C4'-P-C4' energy: -135.797 flat angles P-C4'-P energy: -88.890 tors. eta vs tors. theta energy: -221.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2208.443129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.443129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.443129 (E_RNA) where: Base-Base interactions energy: -1548.899 where: short stacking energy: -657.058 Base-Backbone interact. energy: -0.952 local terms energy: -658.591814 where: bonds (distance) C4'-P energy: -108.385 bonds (distance) P-C4' energy: -115.382 flat angles C4'-P-C4' energy: -141.568 flat angles P-C4'-P energy: -93.244 tors. eta vs tors. theta energy: -200.013 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: 7, replica: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2210.865733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.865733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.865733 (E_RNA) where: Base-Base interactions energy: -1560.276 where: short stacking energy: -639.745 Base-Backbone interact. energy: -1.468 local terms energy: -649.121494 where: bonds (distance) C4'-P energy: -90.249 bonds (distance) P-C4' energy: -123.455 flat angles C4'-P-C4' energy: -144.974 flat angles P-C4'-P energy: -98.677 tors. eta vs tors. theta energy: -191.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -2007.199026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.199026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.199026 (E_RNA) where: Base-Base interactions energy: -1399.953 where: short stacking energy: -549.147 Base-Backbone interact. energy: 2.113 local terms energy: -609.358878 where: bonds (distance) C4'-P energy: -114.196 bonds (distance) P-C4' energy: -112.858 flat angles C4'-P-C4' energy: -133.031 flat angles P-C4'-P energy: -82.964 tors. eta vs tors. theta energy: -166.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1775.926259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.926259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.926259 (E_RNA) where: Base-Base interactions energy: -1219.946 where: short stacking energy: -491.576 Base-Backbone interact. energy: -0.766 local terms energy: -555.214881 where: bonds (distance) C4'-P energy: -106.479 bonds (distance) P-C4' energy: -113.778 flat angles C4'-P-C4' energy: -127.339 flat angles P-C4'-P energy: -77.661 tors. eta vs tors. theta energy: -129.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -761.227559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.227559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.227559 (E_RNA) where: Base-Base interactions energy: -389.956 where: short stacking energy: -202.379 Base-Backbone interact. energy: -0.410 local terms energy: -370.862086 where: bonds (distance) C4'-P energy: -126.740 bonds (distance) P-C4' energy: -93.130 flat angles C4'-P-C4' energy: -95.743 flat angles P-C4'-P energy: -45.338 tors. eta vs tors. theta energy: -9.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2676.933908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.933908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.933908 (E_RNA) where: Base-Base interactions energy: -1907.702 where: short stacking energy: -790.837 Base-Backbone interact. energy: -1.566 local terms energy: -767.666077 where: bonds (distance) C4'-P energy: -123.992 bonds (distance) P-C4' energy: -136.794 flat angles C4'-P-C4' energy: -166.244 flat angles P-C4'-P energy: -106.550 tors. eta vs tors. theta energy: -234.086 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: 2, replica: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2648.428341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.428341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.428341 (E_RNA) where: Base-Base interactions energy: -1901.745 where: short stacking energy: -756.417 Base-Backbone interact. energy: 0.689 local terms energy: -747.372672 where: bonds (distance) C4'-P energy: -133.026 bonds (distance) P-C4' energy: -117.742 flat angles C4'-P-C4' energy: -149.562 flat angles P-C4'-P energy: -110.673 tors. eta vs tors. theta energy: -236.370 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: 9 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2585.763687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.763687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.763687 (E_RNA) where: Base-Base interactions energy: -1833.557 where: short stacking energy: -755.735 Base-Backbone interact. energy: -0.618 local terms energy: -751.588894 where: bonds (distance) C4'-P energy: -124.616 bonds (distance) P-C4' energy: -131.317 flat angles C4'-P-C4' energy: -154.260 flat angles P-C4'-P energy: -105.312 tors. eta vs tors. theta energy: -236.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2518.224235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.224235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.224235 (E_RNA) where: Base-Base interactions energy: -1795.361 where: short stacking energy: -739.223 Base-Backbone interact. energy: 1.845 local terms energy: -724.708959 where: bonds (distance) C4'-P energy: -113.380 bonds (distance) P-C4' energy: -126.683 flat angles C4'-P-C4' energy: -157.647 flat angles P-C4'-P energy: -107.488 tors. eta vs tors. theta energy: -219.511 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: 1 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2430.259589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.259589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.259589 (E_RNA) where: Base-Base interactions energy: -1743.895 where: short stacking energy: -699.406 Base-Backbone interact. energy: 6.792 local terms energy: -693.156482 where: bonds (distance) C4'-P energy: -124.095 bonds (distance) P-C4' energy: -112.845 flat angles C4'-P-C4' energy: -145.505 flat angles P-C4'-P energy: -87.703 tors. eta vs tors. theta energy: -223.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2245.633274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.633274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.633274 (E_RNA) where: Base-Base interactions energy: -1571.630 where: short stacking energy: -648.724 Base-Backbone interact. energy: -2.153 local terms energy: -671.850301 where: bonds (distance) C4'-P energy: -111.541 bonds (distance) P-C4' energy: -136.231 flat angles C4'-P-C4' energy: -129.709 flat angles P-C4'-P energy: -90.566 tors. eta vs tors. theta energy: -203.803 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: 4 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2196.446669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.446669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.446669 (E_RNA) where: Base-Base interactions energy: -1548.618 where: short stacking energy: -633.891 Base-Backbone interact. energy: -2.523 local terms energy: -645.305251 where: bonds (distance) C4'-P energy: -98.567 bonds (distance) P-C4' energy: -136.578 flat angles C4'-P-C4' energy: -141.928 flat angles P-C4'-P energy: -77.567 tors. eta vs tors. theta energy: -190.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1986.047335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.047335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.047335 (E_RNA) where: Base-Base interactions energy: -1430.975 where: short stacking energy: -582.758 Base-Backbone interact. energy: 6.465 local terms energy: -561.537356 where: bonds (distance) C4'-P energy: -118.302 bonds (distance) P-C4' energy: -74.177 flat angles C4'-P-C4' energy: -129.062 flat angles P-C4'-P energy: -81.572 tors. eta vs tors. theta energy: -158.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1818.285720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.285720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.285720 (E_RNA) where: Base-Base interactions energy: -1272.484 where: short stacking energy: -506.307 Base-Backbone interact. energy: -0.811 local terms energy: -544.990887 where: bonds (distance) C4'-P energy: -120.262 bonds (distance) P-C4' energy: -122.883 flat angles C4'-P-C4' energy: -108.570 flat angles P-C4'-P energy: -65.959 tors. eta vs tors. theta energy: -127.317 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: 6 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -790.182837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.182837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.182837 (E_RNA) where: Base-Base interactions energy: -402.875 where: short stacking energy: -215.010 Base-Backbone interact. energy: -2.858 local terms energy: -384.449559 where: bonds (distance) C4'-P energy: -107.652 bonds (distance) P-C4' energy: -108.669 flat angles C4'-P-C4' energy: -91.869 flat angles P-C4'-P energy: -62.271 tors. eta vs tors. theta energy: -13.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2679.159607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.159607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.159607 (E_RNA) where: Base-Base interactions energy: -1902.797 where: short stacking energy: -770.850 Base-Backbone interact. energy: -1.378 local terms energy: -774.984745 where: bonds (distance) C4'-P energy: -139.473 bonds (distance) P-C4' energy: -132.535 flat angles C4'-P-C4' energy: -158.273 flat angles P-C4'-P energy: -110.058 tors. eta vs tors. theta energy: -234.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2662.653376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.653376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.653376 (E_RNA) where: Base-Base interactions energy: -1915.951 where: short stacking energy: -774.682 Base-Backbone interact. energy: -4.381 local terms energy: -742.320479 where: bonds (distance) C4'-P energy: -125.611 bonds (distance) P-C4' energy: -130.001 flat angles C4'-P-C4' energy: -152.829 flat angles P-C4'-P energy: -104.209 tors. eta vs tors. theta energy: -229.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2576.294341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.294341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.294341 (E_RNA) where: Base-Base interactions energy: -1831.802 where: short stacking energy: -768.381 Base-Backbone interact. energy: -2.751 local terms energy: -741.741313 where: bonds (distance) C4'-P energy: -122.425 bonds (distance) P-C4' energy: -103.884 flat angles C4'-P-C4' energy: -167.056 flat angles P-C4'-P energy: -107.418 tors. eta vs tors. theta energy: -240.959 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: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2538.003372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.003372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.003372 (E_RNA) where: Base-Base interactions energy: -1805.096 where: short stacking energy: -730.757 Base-Backbone interact. energy: -1.874 local terms energy: -731.033141 where: bonds (distance) C4'-P energy: -125.924 bonds (distance) P-C4' energy: -117.351 flat angles C4'-P-C4' energy: -144.944 flat angles P-C4'-P energy: -108.675 tors. eta vs tors. theta energy: -234.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2400.625016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.625016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.625016 (E_RNA) where: Base-Base interactions energy: -1732.711 where: short stacking energy: -695.639 Base-Backbone interact. energy: -1.363 local terms energy: -666.550663 where: bonds (distance) C4'-P energy: -114.209 bonds (distance) P-C4' energy: -119.334 flat angles C4'-P-C4' energy: -138.833 flat angles P-C4'-P energy: -85.570 tors. eta vs tors. theta energy: -208.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2189.486415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.486415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.486415 (E_RNA) where: Base-Base interactions energy: -1533.176 where: short stacking energy: -649.457 Base-Backbone interact. energy: -2.264 local terms energy: -654.046277 where: bonds (distance) C4'-P energy: -98.858 bonds (distance) P-C4' energy: -124.200 flat angles C4'-P-C4' energy: -139.181 flat angles P-C4'-P energy: -97.682 tors. eta vs tors. theta energy: -194.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2267.706019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.706019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.706019 (E_RNA) where: Base-Base interactions energy: -1608.248 where: short stacking energy: -668.130 Base-Backbone interact. energy: -4.228 local terms energy: -655.230199 where: bonds (distance) C4'-P energy: -120.585 bonds (distance) P-C4' energy: -98.549 flat angles C4'-P-C4' energy: -140.375 flat angles P-C4'-P energy: -87.877 tors. eta vs tors. theta energy: -207.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -2031.493797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.493797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.493797 (E_RNA) where: Base-Base interactions energy: -1425.017 where: short stacking energy: -562.619 Base-Backbone interact. energy: 0.102 local terms energy: -606.578815 where: bonds (distance) C4'-P energy: -110.350 bonds (distance) P-C4' energy: -112.346 flat angles C4'-P-C4' energy: -128.776 flat angles P-C4'-P energy: -93.406 tors. eta vs tors. theta energy: -161.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1879.951297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.951297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.951297 (E_RNA) where: Base-Base interactions energy: -1334.955 where: short stacking energy: -543.715 Base-Backbone interact. energy: -1.647 local terms energy: -543.349851 where: bonds (distance) C4'-P energy: -87.901 bonds (distance) P-C4' energy: -115.681 flat angles C4'-P-C4' energy: -112.116 flat angles P-C4'-P energy: -93.048 tors. eta vs tors. theta energy: -134.604 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: 6 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -823.376874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.376874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.376874 (E_RNA) where: Base-Base interactions energy: -408.067 where: short stacking energy: -238.180 Base-Backbone interact. energy: -0.147 local terms energy: -415.162858 where: bonds (distance) C4'-P energy: -112.572 bonds (distance) P-C4' energy: -122.749 flat angles C4'-P-C4' energy: -108.224 flat angles P-C4'-P energy: -59.731 tors. eta vs tors. theta energy: -11.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2746.195119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.195119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.195119 (E_RNA) where: Base-Base interactions energy: -1957.324 where: short stacking energy: -777.398 Base-Backbone interact. energy: -2.329 local terms energy: -786.542301 where: bonds (distance) C4'-P energy: -133.197 bonds (distance) P-C4' energy: -139.883 flat angles C4'-P-C4' energy: -161.998 flat angles P-C4'-P energy: -118.169 tors. eta vs tors. theta energy: -233.296 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: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2658.135825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.135825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.135825 (E_RNA) where: Base-Base interactions energy: -1920.502 where: short stacking energy: -770.572 Base-Backbone interact. energy: -2.068 local terms energy: -735.566290 where: bonds (distance) C4'-P energy: -123.108 bonds (distance) P-C4' energy: -131.475 flat angles C4'-P-C4' energy: -155.846 flat angles P-C4'-P energy: -87.988 tors. eta vs tors. theta energy: -237.149 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: 10 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2568.323482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.323482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.323482 (E_RNA) where: Base-Base interactions energy: -1841.028 where: short stacking energy: -750.285 Base-Backbone interact. energy: -1.970 local terms energy: -725.325708 where: bonds (distance) C4'-P energy: -113.871 bonds (distance) P-C4' energy: -111.044 flat angles C4'-P-C4' energy: -155.218 flat angles P-C4'-P energy: -110.447 tors. eta vs tors. theta energy: -234.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2524.378263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.378263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.378263 (E_RNA) where: Base-Base interactions energy: -1793.595 where: short stacking energy: -711.479 Base-Backbone interact. energy: 1.681 local terms energy: -732.464303 where: bonds (distance) C4'-P energy: -125.071 bonds (distance) P-C4' energy: -138.141 flat angles C4'-P-C4' energy: -138.296 flat angles P-C4'-P energy: -106.857 tors. eta vs tors. theta energy: -224.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2431.741879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.741879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.741879 (E_RNA) where: Base-Base interactions energy: -1751.492 where: short stacking energy: -703.693 Base-Backbone interact. energy: -0.032 local terms energy: -680.218772 where: bonds (distance) C4'-P energy: -116.192 bonds (distance) P-C4' energy: -115.082 flat angles C4'-P-C4' energy: -147.313 flat angles P-C4'-P energy: -89.630 tors. eta vs tors. theta energy: -212.003 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: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2296.052350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.052350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.052350 (E_RNA) where: Base-Base interactions energy: -1614.377 where: short stacking energy: -672.430 Base-Backbone interact. energy: 1.785 local terms energy: -683.460348 where: bonds (distance) C4'-P energy: -139.700 bonds (distance) P-C4' energy: -118.203 flat angles C4'-P-C4' energy: -131.640 flat angles P-C4'-P energy: -95.796 tors. eta vs tors. theta energy: -198.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2172.780725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.780725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.780725 (E_RNA) where: Base-Base interactions energy: -1553.399 where: short stacking energy: -667.347 Base-Backbone interact. energy: -2.636 local terms energy: -616.746116 where: bonds (distance) C4'-P energy: -94.469 bonds (distance) P-C4' energy: -111.420 flat angles C4'-P-C4' energy: -140.579 flat angles P-C4'-P energy: -87.693 tors. eta vs tors. theta energy: -182.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1911.065724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.065724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.065724 (E_RNA) where: Base-Base interactions energy: -1316.816 where: short stacking energy: -532.299 Base-Backbone interact. energy: 0.875 local terms energy: -595.125068 where: bonds (distance) C4'-P energy: -107.704 bonds (distance) P-C4' energy: -128.622 flat angles C4'-P-C4' energy: -127.329 flat angles P-C4'-P energy: -83.518 tors. eta vs tors. theta energy: -147.951 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: 5 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1925.211698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.211698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.211698 (E_RNA) where: Base-Base interactions energy: -1341.794 where: short stacking energy: -563.949 Base-Backbone interact. energy: 5.190 local terms energy: -588.607929 where: bonds (distance) C4'-P energy: -105.497 bonds (distance) P-C4' energy: -127.356 flat angles C4'-P-C4' energy: -116.160 flat angles P-C4'-P energy: -77.321 tors. eta vs tors. theta energy: -162.273 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: 6 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -821.904248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.904248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.904248 (E_RNA) where: Base-Base interactions energy: -445.446 where: short stacking energy: -247.214 Base-Backbone interact. energy: -1.585 local terms energy: -374.873142 where: bonds (distance) C4'-P energy: -82.587 bonds (distance) P-C4' energy: -104.334 flat angles C4'-P-C4' energy: -127.808 flat angles P-C4'-P energy: -49.707 tors. eta vs tors. theta energy: -10.438 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: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2703.840878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.840878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.840878 (E_RNA) where: Base-Base interactions energy: -1936.432 where: short stacking energy: -781.189 Base-Backbone interact. energy: -3.535 local terms energy: -763.873229 where: bonds (distance) C4'-P energy: -134.683 bonds (distance) P-C4' energy: -122.743 flat angles C4'-P-C4' energy: -155.437 flat angles P-C4'-P energy: -116.155 tors. eta vs tors. theta energy: -234.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2649.577253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.577253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.577253 (E_RNA) where: Base-Base interactions energy: -1883.990 where: short stacking energy: -764.545 Base-Backbone interact. energy: -1.171 local terms energy: -764.416103 where: bonds (distance) C4'-P energy: -115.370 bonds (distance) P-C4' energy: -132.301 flat angles C4'-P-C4' energy: -155.532 flat angles P-C4'-P energy: -119.732 tors. eta vs tors. theta energy: -241.482 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: 440 Temperature: 1.000000 Total energy: -2594.151394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.151394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.151394 (E_RNA) where: Base-Base interactions energy: -1839.374 where: short stacking energy: -740.064 Base-Backbone interact. energy: 1.850 local terms energy: -756.627461 where: bonds (distance) C4'-P energy: -132.286 bonds (distance) P-C4' energy: -136.470 flat angles C4'-P-C4' energy: -147.703 flat angles P-C4'-P energy: -101.585 tors. eta vs tors. theta energy: -238.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2540.427518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.427518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.427518 (E_RNA) where: Base-Base interactions energy: -1802.609 where: short stacking energy: -748.966 Base-Backbone interact. energy: 1.014 local terms energy: -738.831573 where: bonds (distance) C4'-P energy: -130.296 bonds (distance) P-C4' energy: -132.506 flat angles C4'-P-C4' energy: -150.774 flat angles P-C4'-P energy: -97.821 tors. eta vs tors. theta energy: -227.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2416.010913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.010913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.010913 (E_RNA) where: Base-Base interactions energy: -1724.354 where: short stacking energy: -696.355 Base-Backbone interact. energy: 0.163 local terms energy: -691.819379 where: bonds (distance) C4'-P energy: -122.063 bonds (distance) P-C4' energy: -116.502 flat angles C4'-P-C4' energy: -144.023 flat angles P-C4'-P energy: -86.980 tors. eta vs tors. theta energy: -222.251 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: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2298.362096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.362096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.362096 (E_RNA) where: Base-Base interactions energy: -1618.429 where: short stacking energy: -686.752 Base-Backbone interact. energy: 1.156 local terms energy: -681.089127 where: bonds (distance) C4'-P energy: -113.712 bonds (distance) P-C4' energy: -121.706 flat angles C4'-P-C4' energy: -144.964 flat angles P-C4'-P energy: -95.006 tors. eta vs tors. theta energy: -205.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2247.582703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.582703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.582703 (E_RNA) where: Base-Base interactions energy: -1611.616 where: short stacking energy: -652.005 Base-Backbone interact. energy: -3.862 local terms energy: -632.104760 where: bonds (distance) C4'-P energy: -99.599 bonds (distance) P-C4' energy: -103.083 flat angles C4'-P-C4' energy: -133.684 flat angles P-C4'-P energy: -92.540 tors. eta vs tors. theta energy: -203.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1823.337180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.337180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.337180 (E_RNA) where: Base-Base interactions energy: -1244.319 where: short stacking energy: -504.579 Base-Backbone interact. energy: -2.324 local terms energy: -576.694277 where: bonds (distance) C4'-P energy: -110.591 bonds (distance) P-C4' energy: -106.688 flat angles C4'-P-C4' energy: -146.740 flat angles P-C4'-P energy: -86.269 tors. eta vs tors. theta energy: -126.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1885.875816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.875816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.875816 (E_RNA) where: Base-Base interactions energy: -1355.787 where: short stacking energy: -589.234 Base-Backbone interact. energy: 3.387 local terms energy: -533.476579 where: bonds (distance) C4'-P energy: -96.766 bonds (distance) P-C4' energy: -95.778 flat angles C4'-P-C4' energy: -118.292 flat angles P-C4'-P energy: -64.268 tors. eta vs tors. theta energy: -158.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -804.784679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.784679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.784679 (E_RNA) where: Base-Base interactions energy: -420.536 where: short stacking energy: -252.748 Base-Backbone interact. energy: 3.441 local terms energy: -387.689193 where: bonds (distance) C4'-P energy: -112.814 bonds (distance) P-C4' energy: -102.436 flat angles C4'-P-C4' energy: -94.404 flat angles P-C4'-P energy: -54.762 tors. eta vs tors. theta energy: -23.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2731.256321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.256321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.256321 (E_RNA) where: Base-Base interactions energy: -1947.847 where: short stacking energy: -776.650 Base-Backbone interact. energy: -2.032 local terms energy: -781.377094 where: bonds (distance) C4'-P energy: -135.601 bonds (distance) P-C4' energy: -138.927 flat angles C4'-P-C4' energy: -152.338 flat angles P-C4'-P energy: -106.040 tors. eta vs tors. theta energy: -248.470 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: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2676.611550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.611550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.611550 (E_RNA) where: Base-Base interactions energy: -1929.910 where: short stacking energy: -782.308 Base-Backbone interact. energy: -2.516 local terms energy: -744.185614 where: bonds (distance) C4'-P energy: -133.752 bonds (distance) P-C4' energy: -130.180 flat angles C4'-P-C4' energy: -148.304 flat angles P-C4'-P energy: -103.652 tors. eta vs tors. theta energy: -228.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2599.612032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.612032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.612032 (E_RNA) where: Base-Base interactions energy: -1851.079 where: short stacking energy: -754.563 Base-Backbone interact. energy: -0.522 local terms energy: -748.011400 where: bonds (distance) C4'-P energy: -126.948 bonds (distance) P-C4' energy: -111.565 flat angles C4'-P-C4' energy: -155.210 flat angles P-C4'-P energy: -113.620 tors. eta vs tors. theta energy: -240.668 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: 441 Temperature: 1.050000 Total energy: -2523.022596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.022596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.022596 (E_RNA) where: Base-Base interactions energy: -1807.133 where: short stacking energy: -721.818 Base-Backbone interact. energy: -1.464 local terms energy: -714.425702 where: bonds (distance) C4'-P energy: -110.943 bonds (distance) P-C4' energy: -129.453 flat angles C4'-P-C4' energy: -150.839 flat angles P-C4'-P energy: -103.158 tors. eta vs tors. theta energy: -220.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2409.930431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.930431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.930431 (E_RNA) where: Base-Base interactions energy: -1710.339 where: short stacking energy: -701.438 Base-Backbone interact. energy: -2.862 local terms energy: -696.729599 where: bonds (distance) C4'-P energy: -104.560 bonds (distance) P-C4' energy: -125.019 flat angles C4'-P-C4' energy: -157.020 flat angles P-C4'-P energy: -92.380 tors. eta vs tors. theta energy: -217.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2281.233629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.233629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.233629 (E_RNA) where: Base-Base interactions energy: -1591.303 where: short stacking energy: -641.883 Base-Backbone interact. energy: 5.037 local terms energy: -694.967741 where: bonds (distance) C4'-P energy: -121.432 bonds (distance) P-C4' energy: -122.498 flat angles C4'-P-C4' energy: -149.261 flat angles P-C4'-P energy: -102.131 tors. eta vs tors. theta energy: -199.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2181.316591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.316591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.316591 (E_RNA) where: Base-Base interactions energy: -1513.238 where: short stacking energy: -598.899 Base-Backbone interact. energy: -1.429 local terms energy: -666.649727 where: bonds (distance) C4'-P energy: -123.710 bonds (distance) P-C4' energy: -129.746 flat angles C4'-P-C4' energy: -139.538 flat angles P-C4'-P energy: -80.611 tors. eta vs tors. theta energy: -193.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1920.478571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.478571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.478571 (E_RNA) where: Base-Base interactions energy: -1352.452 where: short stacking energy: -550.143 Base-Backbone interact. energy: -2.292 local terms energy: -565.734048 where: bonds (distance) C4'-P energy: -115.579 bonds (distance) P-C4' energy: -97.763 flat angles C4'-P-C4' energy: -128.932 flat angles P-C4'-P energy: -60.629 tors. eta vs tors. theta energy: -162.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1807.966048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.966048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.966048 (E_RNA) where: Base-Base interactions energy: -1247.057 where: short stacking energy: -525.537 Base-Backbone interact. energy: 3.339 local terms energy: -564.247770 where: bonds (distance) C4'-P energy: -108.725 bonds (distance) P-C4' energy: -111.263 flat angles C4'-P-C4' energy: -134.434 flat angles P-C4'-P energy: -72.207 tors. eta vs tors. theta energy: -137.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -770.748653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.748653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.748653 (E_RNA) where: Base-Base interactions energy: -402.730 where: short stacking energy: -219.875 Base-Backbone interact. energy: 5.364 local terms energy: -373.382892 where: bonds (distance) C4'-P energy: -109.729 bonds (distance) P-C4' energy: -101.436 flat angles C4'-P-C4' energy: -101.024 flat angles P-C4'-P energy: -51.986 tors. eta vs tors. theta energy: -9.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2713.867254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.867254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.867254 (E_RNA) where: Base-Base interactions energy: -1936.607 where: short stacking energy: -790.360 Base-Backbone interact. energy: -0.833 local terms energy: -776.427262 where: bonds (distance) C4'-P energy: -144.351 bonds (distance) P-C4' energy: -132.359 flat angles C4'-P-C4' energy: -164.960 flat angles P-C4'-P energy: -94.848 tors. eta vs tors. theta energy: -239.909 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: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2658.036761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.036761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.036761 (E_RNA) where: Base-Base interactions energy: -1885.892 where: short stacking energy: -769.663 Base-Backbone interact. energy: -4.276 local terms energy: -767.869069 where: bonds (distance) C4'-P energy: -136.234 bonds (distance) P-C4' energy: -139.567 flat angles C4'-P-C4' energy: -160.740 flat angles P-C4'-P energy: -94.935 tors. eta vs tors. theta energy: -236.393 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: 10 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2600.360682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.360682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.360682 (E_RNA) where: Base-Base interactions energy: -1859.821 where: short stacking energy: -729.119 Base-Backbone interact. energy: 2.143 local terms energy: -742.682898 where: bonds (distance) C4'-P energy: -116.143 bonds (distance) P-C4' energy: -129.278 flat angles C4'-P-C4' energy: -149.286 flat angles P-C4'-P energy: -107.173 tors. eta vs tors. theta energy: -240.803 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: 9 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2507.047002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.047002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.047002 (E_RNA) where: Base-Base interactions energy: -1782.296 where: short stacking energy: -732.403 Base-Backbone interact. energy: -3.457 local terms energy: -721.294308 where: bonds (distance) C4'-P energy: -125.907 bonds (distance) P-C4' energy: -122.278 flat angles C4'-P-C4' energy: -146.251 flat angles P-C4'-P energy: -100.921 tors. eta vs tors. theta energy: -225.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2421.515953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.515953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.515953 (E_RNA) where: Base-Base interactions energy: -1702.663 where: short stacking energy: -718.069 Base-Backbone interact. energy: 1.683 local terms energy: -720.535812 where: bonds (distance) C4'-P energy: -132.708 bonds (distance) P-C4' energy: -119.941 flat angles C4'-P-C4' energy: -156.760 flat angles P-C4'-P energy: -96.315 tors. eta vs tors. theta energy: -214.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2308.057958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.057958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.057958 (E_RNA) where: Base-Base interactions energy: -1638.885 where: short stacking energy: -684.862 Base-Backbone interact. energy: -1.676 local terms energy: -667.497753 where: bonds (distance) C4'-P energy: -107.115 bonds (distance) P-C4' energy: -123.479 flat angles C4'-P-C4' energy: -143.569 flat angles P-C4'-P energy: -88.181 tors. eta vs tors. theta energy: -205.154 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: 2 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2172.330848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.330848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.330848 (E_RNA) where: Base-Base interactions energy: -1548.364 where: short stacking energy: -628.704 Base-Backbone interact. energy: 0.405 local terms energy: -624.372066 where: bonds (distance) C4'-P energy: -100.337 bonds (distance) P-C4' energy: -101.795 flat angles C4'-P-C4' energy: -127.390 flat angles P-C4'-P energy: -100.651 tors. eta vs tors. theta energy: -194.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1996.417767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.417767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.417767 (E_RNA) where: Base-Base interactions energy: -1396.339 where: short stacking energy: -577.498 Base-Backbone interact. energy: 1.782 local terms energy: -601.860339 where: bonds (distance) C4'-P energy: -103.641 bonds (distance) P-C4' energy: -127.737 flat angles C4'-P-C4' energy: -108.660 flat angles P-C4'-P energy: -86.928 tors. eta vs tors. theta energy: -174.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1822.372978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.372978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.372978 (E_RNA) where: Base-Base interactions energy: -1282.508 where: short stacking energy: -546.330 Base-Backbone interact. energy: 1.763 local terms energy: -541.628203 where: bonds (distance) C4'-P energy: -115.652 bonds (distance) P-C4' energy: -106.750 flat angles C4'-P-C4' energy: -106.494 flat angles P-C4'-P energy: -76.373 tors. eta vs tors. theta energy: -136.359 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: 10, replica: 6 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -735.941797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.941797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.941797 (E_RNA) where: Base-Base interactions energy: -397.765 where: short stacking energy: -194.127 Base-Backbone interact. energy: 4.549 local terms energy: -342.726237 where: bonds (distance) C4'-P energy: -96.975 bonds (distance) P-C4' energy: -113.445 flat angles C4'-P-C4' energy: -83.271 flat angles P-C4'-P energy: -52.719 tors. eta vs tors. theta energy: 3.683 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: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2703.626816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.626816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.626816 (E_RNA) where: Base-Base interactions energy: -1924.838 where: short stacking energy: -781.902 Base-Backbone interact. energy: -2.541 local terms energy: -776.247742 where: bonds (distance) C4'-P energy: -128.105 bonds (distance) P-C4' energy: -133.796 flat angles C4'-P-C4' energy: -170.870 flat angles P-C4'-P energy: -106.915 tors. eta vs tors. theta energy: -236.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2629.289550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.289550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.289550 (E_RNA) where: Base-Base interactions energy: -1861.610 where: short stacking energy: -780.070 Base-Backbone interact. energy: -3.520 local terms energy: -764.158885 where: bonds (distance) C4'-P energy: -135.604 bonds (distance) P-C4' energy: -144.492 flat angles C4'-P-C4' energy: -147.257 flat angles P-C4'-P energy: -102.400 tors. eta vs tors. theta energy: -234.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2616.220134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.220134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.220134 (E_RNA) where: Base-Base interactions energy: -1859.430 where: short stacking energy: -765.423 Base-Backbone interact. energy: -3.866 local terms energy: -752.923296 where: bonds (distance) C4'-P energy: -121.314 bonds (distance) P-C4' energy: -138.730 flat angles C4'-P-C4' energy: -149.639 flat angles P-C4'-P energy: -112.001 tors. eta vs tors. theta energy: -231.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2496.325372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.325372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.325372 (E_RNA) where: Base-Base interactions energy: -1753.716 where: short stacking energy: -706.301 Base-Backbone interact. energy: -1.920 local terms energy: -740.689150 where: bonds (distance) C4'-P energy: -127.674 bonds (distance) P-C4' energy: -135.634 flat angles C4'-P-C4' energy: -152.154 flat angles P-C4'-P energy: -105.566 tors. eta vs tors. theta energy: -219.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2392.589311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.589311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.589311 (E_RNA) where: Base-Base interactions energy: -1714.664 where: short stacking energy: -705.040 Base-Backbone interact. energy: 1.963 local terms energy: -679.888196 where: bonds (distance) C4'-P energy: -118.220 bonds (distance) P-C4' energy: -117.922 flat angles C4'-P-C4' energy: -139.304 flat angles P-C4'-P energy: -87.091 tors. eta vs tors. theta energy: -217.352 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: 6, replica: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2320.731236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.731236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.731236 (E_RNA) where: Base-Base interactions energy: -1632.012 where: short stacking energy: -668.021 Base-Backbone interact. energy: -4.072 local terms energy: -684.647061 where: bonds (distance) C4'-P energy: -110.402 bonds (distance) P-C4' energy: -139.190 flat angles C4'-P-C4' energy: -134.495 flat angles P-C4'-P energy: -95.706 tors. eta vs tors. theta energy: -204.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2161.368402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.368402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.368402 (E_RNA) where: Base-Base interactions energy: -1529.061 where: short stacking energy: -630.082 Base-Backbone interact. energy: 0.091 local terms energy: -632.398783 where: bonds (distance) C4'-P energy: -97.010 bonds (distance) P-C4' energy: -120.817 flat angles C4'-P-C4' energy: -141.530 flat angles P-C4'-P energy: -81.581 tors. eta vs tors. theta energy: -191.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1972.864594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.864594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.864594 (E_RNA) where: Base-Base interactions energy: -1360.345 where: short stacking energy: -577.753 Base-Backbone interact. energy: -1.896 local terms energy: -610.623485 where: bonds (distance) C4'-P energy: -104.425 bonds (distance) P-C4' energy: -119.239 flat angles C4'-P-C4' energy: -135.620 flat angles P-C4'-P energy: -84.922 tors. eta vs tors. theta energy: -166.418 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: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1920.148680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.148680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.148680 (E_RNA) where: Base-Base interactions energy: -1348.891 where: short stacking energy: -559.417 Base-Backbone interact. energy: -0.862 local terms energy: -570.395464 where: bonds (distance) C4'-P energy: -98.745 bonds (distance) P-C4' energy: -109.613 flat angles C4'-P-C4' energy: -122.079 flat angles P-C4'-P energy: -74.208 tors. eta vs tors. theta energy: -165.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -780.548913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.548913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.548913 (E_RNA) where: Base-Base interactions energy: -385.111 where: short stacking energy: -223.998 Base-Backbone interact. energy: 0.416 local terms energy: -395.854242 where: bonds (distance) C4'-P energy: -110.795 bonds (distance) P-C4' energy: -122.328 flat angles C4'-P-C4' energy: -91.712 flat angles P-C4'-P energy: -52.887 tors. eta vs tors. theta energy: -18.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2706.320808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.320808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.320808 (E_RNA) where: Base-Base interactions energy: -1946.366 where: short stacking energy: -764.518 Base-Backbone interact. energy: -2.641 local terms energy: -757.313598 where: bonds (distance) C4'-P energy: -129.496 bonds (distance) P-C4' energy: -129.969 flat angles C4'-P-C4' energy: -164.938 flat angles P-C4'-P energy: -105.447 tors. eta vs tors. theta energy: -227.464 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: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2623.508947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.508947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.508947 (E_RNA) where: Base-Base interactions energy: -1850.136 where: short stacking energy: -740.721 Base-Backbone interact. energy: 0.202 local terms energy: -773.574870 where: bonds (distance) C4'-P energy: -123.444 bonds (distance) P-C4' energy: -138.738 flat angles C4'-P-C4' energy: -156.776 flat angles P-C4'-P energy: -116.372 tors. eta vs tors. theta energy: -238.245 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: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2615.659549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.659549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.659549 (E_RNA) where: Base-Base interactions energy: -1903.775 where: short stacking energy: -744.383 Base-Backbone interact. energy: -0.086 local terms energy: -711.798870 where: bonds (distance) C4'-P energy: -119.621 bonds (distance) P-C4' energy: -119.775 flat angles C4'-P-C4' energy: -144.825 flat angles P-C4'-P energy: -100.678 tors. eta vs tors. theta energy: -226.900 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: 4, replica: 9 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2490.601348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.601348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.601348 (E_RNA) where: Base-Base interactions energy: -1781.161 where: short stacking energy: -731.418 Base-Backbone interact. energy: 0.214 local terms energy: -709.654893 where: bonds (distance) C4'-P energy: -115.701 bonds (distance) P-C4' energy: -121.472 flat angles C4'-P-C4' energy: -154.300 flat angles P-C4'-P energy: -91.822 tors. eta vs tors. theta energy: -226.361 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: 1 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2418.112374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.112374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.112374 (E_RNA) where: Base-Base interactions energy: -1694.651 where: short stacking energy: -703.735 Base-Backbone interact. energy: 0.546 local terms energy: -724.007365 where: bonds (distance) C4'-P energy: -112.989 bonds (distance) P-C4' energy: -137.655 flat angles C4'-P-C4' energy: -137.453 flat angles P-C4'-P energy: -112.881 tors. eta vs tors. theta energy: -223.030 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: 444 Temperature: 1.150000 Total energy: -2291.942796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.942796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.942796 (E_RNA) where: Base-Base interactions energy: -1609.745 where: short stacking energy: -622.514 Base-Backbone interact. energy: -3.184 local terms energy: -679.014007 where: bonds (distance) C4'-P energy: -117.172 bonds (distance) P-C4' energy: -132.011 flat angles C4'-P-C4' energy: -136.533 flat angles P-C4'-P energy: -90.718 tors. eta vs tors. theta energy: -202.580 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: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2006.254444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.254444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.254444 (E_RNA) where: Base-Base interactions energy: -1383.007 where: short stacking energy: -576.401 Base-Backbone interact. energy: -1.735 local terms energy: -621.511659 where: bonds (distance) C4'-P energy: -122.953 bonds (distance) P-C4' energy: -113.256 flat angles C4'-P-C4' energy: -128.791 flat angles P-C4'-P energy: -96.402 tors. eta vs tors. theta energy: -160.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -2101.672053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.672053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.672053 (E_RNA) where: Base-Base interactions energy: -1488.499 where: short stacking energy: -622.668 Base-Backbone interact. energy: -1.450 local terms energy: -611.722359 where: bonds (distance) C4'-P energy: -117.368 bonds (distance) P-C4' energy: -80.588 flat angles C4'-P-C4' energy: -142.487 flat angles P-C4'-P energy: -83.253 tors. eta vs tors. theta energy: -188.027 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: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1878.649547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.649547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.649547 (E_RNA) where: Base-Base interactions energy: -1280.753 where: short stacking energy: -539.234 Base-Backbone interact. energy: -0.573 local terms energy: -597.324324 where: bonds (distance) C4'-P energy: -114.412 bonds (distance) P-C4' energy: -119.097 flat angles C4'-P-C4' energy: -142.283 flat angles P-C4'-P energy: -68.323 tors. eta vs tors. theta energy: -153.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -760.963714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.963714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.963714 (E_RNA) where: Base-Base interactions energy: -386.974 where: short stacking energy: -224.986 Base-Backbone interact. energy: -1.149 local terms energy: -372.840921 where: bonds (distance) C4'-P energy: -101.265 bonds (distance) P-C4' energy: -127.822 flat angles C4'-P-C4' energy: -86.290 flat angles P-C4'-P energy: -58.174 tors. eta vs tors. theta energy: 0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2715.610051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.610051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.610051 (E_RNA) where: Base-Base interactions energy: -1943.570 where: short stacking energy: -778.783 Base-Backbone interact. energy: -2.593 local terms energy: -769.446483 where: bonds (distance) C4'-P energy: -137.397 bonds (distance) P-C4' energy: -116.108 flat angles C4'-P-C4' energy: -159.168 flat angles P-C4'-P energy: -119.153 tors. eta vs tors. theta energy: -237.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2650.953425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.953425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.953425 (E_RNA) where: Base-Base interactions energy: -1904.939 where: short stacking energy: -762.396 Base-Backbone interact. energy: -2.580 local terms energy: -743.433927 where: bonds (distance) C4'-P energy: -125.553 bonds (distance) P-C4' energy: -129.776 flat angles C4'-P-C4' energy: -155.835 flat angles P-C4'-P energy: -101.178 tors. eta vs tors. theta energy: -231.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2594.769383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.769383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.769383 (E_RNA) where: Base-Base interactions energy: -1846.707 where: short stacking energy: -757.848 Base-Backbone interact. energy: 1.190 local terms energy: -749.252631 where: bonds (distance) C4'-P energy: -119.955 bonds (distance) P-C4' energy: -131.014 flat angles C4'-P-C4' energy: -154.083 flat angles P-C4'-P energy: -100.617 tors. eta vs tors. theta energy: -243.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2493.039680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.039680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.039680 (E_RNA) where: Base-Base interactions energy: -1784.009 where: short stacking energy: -721.976 Base-Backbone interact. energy: 2.642 local terms energy: -711.672861 where: bonds (distance) C4'-P energy: -132.749 bonds (distance) P-C4' energy: -108.155 flat angles C4'-P-C4' energy: -148.359 flat angles P-C4'-P energy: -103.883 tors. eta vs tors. theta energy: -218.527 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: 445 Temperature: 1.100000 Total energy: -2385.175273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.175273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.175273 (E_RNA) where: Base-Base interactions energy: -1694.838 where: short stacking energy: -676.221 Base-Backbone interact. energy: -1.878 local terms energy: -688.460058 where: bonds (distance) C4'-P energy: -123.183 bonds (distance) P-C4' energy: -113.676 flat angles C4'-P-C4' energy: -146.383 flat angles P-C4'-P energy: -93.195 tors. eta vs tors. theta energy: -212.024 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: 4 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2315.431915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.431915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.431915 (E_RNA) where: Base-Base interactions energy: -1651.002 where: short stacking energy: -689.064 Base-Backbone interact. energy: -3.448 local terms energy: -660.982402 where: bonds (distance) C4'-P energy: -128.207 bonds (distance) P-C4' energy: -107.686 flat angles C4'-P-C4' energy: -126.408 flat angles P-C4'-P energy: -90.170 tors. eta vs tors. theta energy: -208.511 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: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2012.884124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.884124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.884124 (E_RNA) where: Base-Base interactions energy: -1387.885 where: short stacking energy: -574.733 Base-Backbone interact. energy: -1.731 local terms energy: -623.268359 where: bonds (distance) C4'-P energy: -113.855 bonds (distance) P-C4' energy: -109.693 flat angles C4'-P-C4' energy: -125.048 flat angles P-C4'-P energy: -95.650 tors. eta vs tors. theta energy: -179.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -2099.231370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.231370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.231370 (E_RNA) where: Base-Base interactions energy: -1491.339 where: short stacking energy: -596.642 Base-Backbone interact. energy: -3.792 local terms energy: -604.100781 where: bonds (distance) C4'-P energy: -95.665 bonds (distance) P-C4' energy: -108.389 flat angles C4'-P-C4' energy: -134.200 flat angles P-C4'-P energy: -87.640 tors. eta vs tors. theta energy: -178.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1925.064018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.064018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.064018 (E_RNA) where: Base-Base interactions energy: -1342.699 where: short stacking energy: -545.655 Base-Backbone interact. energy: -2.600 local terms energy: -579.765462 where: bonds (distance) C4'-P energy: -116.855 bonds (distance) P-C4' energy: -102.853 flat angles C4'-P-C4' energy: -140.714 flat angles P-C4'-P energy: -64.134 tors. eta vs tors. theta energy: -155.209 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: 6 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -767.410389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.410389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.410389 (E_RNA) where: Base-Base interactions energy: -419.606 where: short stacking energy: -221.557 Base-Backbone interact. energy: -1.983 local terms energy: -345.820841 where: bonds (distance) C4'-P energy: -103.280 bonds (distance) P-C4' energy: -90.242 flat angles C4'-P-C4' energy: -97.079 flat angles P-C4'-P energy: -52.050 tors. eta vs tors. theta energy: -3.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2710.586349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.586349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.586349 (E_RNA) where: Base-Base interactions energy: -1942.102 where: short stacking energy: -789.857 Base-Backbone interact. energy: -2.198 local terms energy: -766.285801 where: bonds (distance) C4'-P energy: -124.889 bonds (distance) P-C4' energy: -131.120 flat angles C4'-P-C4' energy: -161.407 flat angles P-C4'-P energy: -112.794 tors. eta vs tors. theta energy: -236.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2670.062048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.062048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.062048 (E_RNA) where: Base-Base interactions energy: -1916.933 where: short stacking energy: -770.295 Base-Backbone interact. energy: -1.345 local terms energy: -751.784455 where: bonds (distance) C4'-P energy: -119.419 bonds (distance) P-C4' energy: -145.267 flat angles C4'-P-C4' energy: -156.551 flat angles P-C4'-P energy: -93.560 tors. eta vs tors. theta energy: -236.987 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: 10 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2598.129160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.129160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.129160 (E_RNA) where: Base-Base interactions energy: -1835.712 where: short stacking energy: -737.033 Base-Backbone interact. energy: -0.134 local terms energy: -762.282337 where: bonds (distance) C4'-P energy: -143.528 bonds (distance) P-C4' energy: -125.799 flat angles C4'-P-C4' energy: -154.036 flat angles P-C4'-P energy: -110.715 tors. eta vs tors. theta energy: -228.205 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: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2520.875729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.875729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.875729 (E_RNA) where: Base-Base interactions energy: -1788.863 where: short stacking energy: -734.654 Base-Backbone interact. energy: -2.054 local terms energy: -729.959434 where: bonds (distance) C4'-P energy: -131.900 bonds (distance) P-C4' energy: -114.241 flat angles C4'-P-C4' energy: -150.681 flat angles P-C4'-P energy: -104.495 tors. eta vs tors. theta energy: -228.643 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: 1 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2352.322151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.322151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.322151 (E_RNA) where: Base-Base interactions energy: -1670.051 where: short stacking energy: -689.701 Base-Backbone interact. energy: -0.997 local terms energy: -681.274335 where: bonds (distance) C4'-P energy: -112.131 bonds (distance) P-C4' energy: -110.528 flat angles C4'-P-C4' energy: -147.863 flat angles P-C4'-P energy: -93.731 tors. eta vs tors. theta energy: -217.021 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: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2283.108998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.108998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.108998 (E_RNA) where: Base-Base interactions energy: -1635.890 where: short stacking energy: -677.607 Base-Backbone interact. energy: -1.453 local terms energy: -645.765910 where: bonds (distance) C4'-P energy: -98.113 bonds (distance) P-C4' energy: -119.674 flat angles C4'-P-C4' energy: -137.758 flat angles P-C4'-P energy: -95.100 tors. eta vs tors. theta energy: -195.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2139.283721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.283721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.283721 (E_RNA) where: Base-Base interactions energy: -1505.765 where: short stacking energy: -597.152 Base-Backbone interact. energy: -0.042 local terms energy: -633.476785 where: bonds (distance) C4'-P energy: -129.561 bonds (distance) P-C4' energy: -105.707 flat angles C4'-P-C4' energy: -134.437 flat angles P-C4'-P energy: -80.909 tors. eta vs tors. theta energy: -182.864 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: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1972.919941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.919941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.919941 (E_RNA) where: Base-Base interactions energy: -1399.295 where: short stacking energy: -592.180 Base-Backbone interact. energy: -0.625 local terms energy: -572.999249 where: bonds (distance) C4'-P energy: -101.904 bonds (distance) P-C4' energy: -88.260 flat angles C4'-P-C4' energy: -132.479 flat angles P-C4'-P energy: -90.185 tors. eta vs tors. theta energy: -160.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1966.050828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.050828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.050828 (E_RNA) where: Base-Base interactions energy: -1392.930 where: short stacking energy: -537.497 Base-Backbone interact. energy: -1.209 local terms energy: -571.911424 where: bonds (distance) C4'-P energy: -113.171 bonds (distance) P-C4' energy: -94.181 flat angles C4'-P-C4' energy: -131.826 flat angles P-C4'-P energy: -74.558 tors. eta vs tors. theta energy: -158.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -817.537879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.537879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.537879 (E_RNA) where: Base-Base interactions energy: -401.890 where: short stacking energy: -236.425 Base-Backbone interact. energy: -2.234 local terms energy: -413.413842 where: bonds (distance) C4'-P energy: -110.277 bonds (distance) P-C4' energy: -113.526 flat angles C4'-P-C4' energy: -107.766 flat angles P-C4'-P energy: -64.497 tors. eta vs tors. theta energy: -17.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2709.969270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.969270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.969270 (E_RNA) where: Base-Base interactions energy: -1919.698 where: short stacking energy: -774.257 Base-Backbone interact. energy: -4.245 local terms energy: -786.025753 where: bonds (distance) C4'-P energy: -123.783 bonds (distance) P-C4' energy: -138.586 flat angles C4'-P-C4' energy: -163.551 flat angles P-C4'-P energy: -123.164 tors. eta vs tors. theta energy: -236.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2653.442436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.442436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.442436 (E_RNA) where: Base-Base interactions energy: -1882.955 where: short stacking energy: -775.691 Base-Backbone interact. energy: -3.228 local terms energy: -767.259674 where: bonds (distance) C4'-P energy: -143.059 bonds (distance) P-C4' energy: -122.837 flat angles C4'-P-C4' energy: -152.164 flat angles P-C4'-P energy: -108.674 tors. eta vs tors. theta energy: -240.526 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: 447 Temperature: 1.000000 Total energy: -2600.005891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.005891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.005891 (E_RNA) where: Base-Base interactions energy: -1852.156 where: short stacking energy: -728.603 Base-Backbone interact. energy: -3.643 local terms energy: -744.207252 where: bonds (distance) C4'-P energy: -106.090 bonds (distance) P-C4' energy: -132.324 flat angles C4'-P-C4' energy: -151.571 flat angles P-C4'-P energy: -109.818 tors. eta vs tors. theta energy: -244.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2465.566248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.566248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.566248 (E_RNA) where: Base-Base interactions energy: -1747.896 where: short stacking energy: -697.067 Base-Backbone interact. energy: 2.099 local terms energy: -719.769635 where: bonds (distance) C4'-P energy: -119.368 bonds (distance) P-C4' energy: -133.999 flat angles C4'-P-C4' energy: -143.831 flat angles P-C4'-P energy: -104.022 tors. eta vs tors. theta energy: -218.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2381.997913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.997913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.997913 (E_RNA) where: Base-Base interactions energy: -1712.426 where: short stacking energy: -709.372 Base-Backbone interact. energy: -0.268 local terms energy: -669.303711 where: bonds (distance) C4'-P energy: -113.325 bonds (distance) P-C4' energy: -120.141 flat angles C4'-P-C4' energy: -135.720 flat angles P-C4'-P energy: -80.667 tors. eta vs tors. theta energy: -219.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2295.840034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.840034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.840034 (E_RNA) where: Base-Base interactions energy: -1647.141 where: short stacking energy: -677.387 Base-Backbone interact. energy: -2.033 local terms energy: -646.666634 where: bonds (distance) C4'-P energy: -103.722 bonds (distance) P-C4' energy: -107.680 flat angles C4'-P-C4' energy: -137.111 flat angles P-C4'-P energy: -93.288 tors. eta vs tors. theta energy: -204.866 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: 2 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2170.490957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.490957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.490957 (E_RNA) where: Base-Base interactions energy: -1541.657 where: short stacking energy: -625.826 Base-Backbone interact. energy: 0.683 local terms energy: -629.517095 where: bonds (distance) C4'-P energy: -118.075 bonds (distance) P-C4' energy: -103.081 flat angles C4'-P-C4' energy: -135.216 flat angles P-C4'-P energy: -82.382 tors. eta vs tors. theta energy: -190.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -2032.795859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.795859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.795859 (E_RNA) where: Base-Base interactions energy: -1408.953 where: short stacking energy: -564.846 Base-Backbone interact. energy: -2.132 local terms energy: -621.710621 where: bonds (distance) C4'-P energy: -121.134 bonds (distance) P-C4' energy: -114.256 flat angles C4'-P-C4' energy: -130.833 flat angles P-C4'-P energy: -93.991 tors. eta vs tors. theta energy: -161.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1917.436875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.436875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.436875 (E_RNA) where: Base-Base interactions energy: -1335.752 where: short stacking energy: -559.670 Base-Backbone interact. energy: 0.691 local terms energy: -582.375386 where: bonds (distance) C4'-P energy: -113.052 bonds (distance) P-C4' energy: -113.189 flat angles C4'-P-C4' energy: -107.122 flat angles P-C4'-P energy: -84.200 tors. eta vs tors. theta energy: -164.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -788.554836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.554836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.554836 (E_RNA) where: Base-Base interactions energy: -428.760 where: short stacking energy: -219.365 Base-Backbone interact. energy: 7.503 local terms energy: -367.297234 where: bonds (distance) C4'-P energy: -95.118 bonds (distance) P-C4' energy: -121.599 flat angles C4'-P-C4' energy: -89.192 flat angles P-C4'-P energy: -62.571 tors. eta vs tors. theta energy: 1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2699.571111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.571111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.571111 (E_RNA) where: Base-Base interactions energy: -1939.535 where: short stacking energy: -782.342 Base-Backbone interact. energy: -2.876 local terms energy: -757.160014 where: bonds (distance) C4'-P energy: -122.391 bonds (distance) P-C4' energy: -135.884 flat angles C4'-P-C4' energy: -148.958 flat angles P-C4'-P energy: -112.569 tors. eta vs tors. theta energy: -237.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2642.884384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.884384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.884384 (E_RNA) where: Base-Base interactions energy: -1890.352 where: short stacking energy: -761.035 Base-Backbone interact. energy: -1.094 local terms energy: -751.438901 where: bonds (distance) C4'-P energy: -132.283 bonds (distance) P-C4' energy: -123.714 flat angles C4'-P-C4' energy: -156.689 flat angles P-C4'-P energy: -104.599 tors. eta vs tors. theta energy: -234.154 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: 448 Temperature: 1.000000 Total energy: -2612.403789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.403789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.403789 (E_RNA) where: Base-Base interactions energy: -1861.287 where: short stacking energy: -752.046 Base-Backbone interact. energy: -2.507 local terms energy: -748.609786 where: bonds (distance) C4'-P energy: -131.909 bonds (distance) P-C4' energy: -122.538 flat angles C4'-P-C4' energy: -160.228 flat angles P-C4'-P energy: -94.499 tors. eta vs tors. theta energy: -239.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2503.589445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.589445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.589445 (E_RNA) where: Base-Base interactions energy: -1796.786 where: short stacking energy: -720.519 Base-Backbone interact. energy: -1.930 local terms energy: -704.873487 where: bonds (distance) C4'-P energy: -123.251 bonds (distance) P-C4' energy: -112.085 flat angles C4'-P-C4' energy: -148.110 flat angles P-C4'-P energy: -96.457 tors. eta vs tors. theta energy: -224.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2401.023058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.023058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.023058 (E_RNA) where: Base-Base interactions energy: -1700.181 where: short stacking energy: -717.689 Base-Backbone interact. energy: 0.256 local terms energy: -701.097940 where: bonds (distance) C4'-P energy: -132.816 bonds (distance) P-C4' energy: -121.926 flat angles C4'-P-C4' energy: -148.739 flat angles P-C4'-P energy: -79.654 tors. eta vs tors. theta energy: -217.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2282.895327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.895327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.895327 (E_RNA) where: Base-Base interactions energy: -1584.848 where: short stacking energy: -652.200 Base-Backbone interact. energy: -0.588 local terms energy: -697.459038 where: bonds (distance) C4'-P energy: -141.145 bonds (distance) P-C4' energy: -124.431 flat angles C4'-P-C4' energy: -140.046 flat angles P-C4'-P energy: -93.712 tors. eta vs tors. theta energy: -198.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2141.058518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.058518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.058518 (E_RNA) where: Base-Base interactions energy: -1485.881 where: short stacking energy: -591.437 Base-Backbone interact. energy: -0.987 local terms energy: -654.190977 where: bonds (distance) C4'-P energy: -118.604 bonds (distance) P-C4' energy: -127.908 flat angles C4'-P-C4' energy: -146.001 flat angles P-C4'-P energy: -90.402 tors. eta vs tors. theta energy: -171.275 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: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1982.830557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.830557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.830557 (E_RNA) where: Base-Base interactions energy: -1394.947 where: short stacking energy: -546.152 Base-Backbone interact. energy: -2.085 local terms energy: -585.799189 where: bonds (distance) C4'-P energy: -104.987 bonds (distance) P-C4' energy: -105.952 flat angles C4'-P-C4' energy: -128.581 flat angles P-C4'-P energy: -91.977 tors. eta vs tors. theta energy: -154.303 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: 5 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1965.296038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.296038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.296038 (E_RNA) where: Base-Base interactions energy: -1408.054 where: short stacking energy: -565.588 Base-Backbone interact. energy: 1.746 local terms energy: -558.988051 where: bonds (distance) C4'-P energy: -101.589 bonds (distance) P-C4' energy: -114.096 flat angles C4'-P-C4' energy: -109.638 flat angles P-C4'-P energy: -64.372 tors. eta vs tors. theta energy: -169.293 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: 10, replica: 6 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -778.047007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.047007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.047007 (E_RNA) where: Base-Base interactions energy: -422.072 where: short stacking energy: -234.869 Base-Backbone interact. energy: 1.853 local terms energy: -357.827938 where: bonds (distance) C4'-P energy: -96.920 bonds (distance) P-C4' energy: -110.868 flat angles C4'-P-C4' energy: -84.580 flat angles P-C4'-P energy: -63.954 tors. eta vs tors. theta energy: -1.507 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: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2709.076561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.076561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.076561 (E_RNA) where: Base-Base interactions energy: -1924.868 where: short stacking energy: -772.146 Base-Backbone interact. energy: -1.898 local terms energy: -782.309687 where: bonds (distance) C4'-P energy: -138.126 bonds (distance) P-C4' energy: -135.402 flat angles C4'-P-C4' energy: -166.039 flat angles P-C4'-P energy: -110.930 tors. eta vs tors. theta energy: -231.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2662.472891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.472891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.472891 (E_RNA) where: Base-Base interactions energy: -1911.940 where: short stacking energy: -765.591 Base-Backbone interact. energy: 0.296 local terms energy: -750.829089 where: bonds (distance) C4'-P energy: -124.736 bonds (distance) P-C4' energy: -127.645 flat angles C4'-P-C4' energy: -164.234 flat angles P-C4'-P energy: -107.203 tors. eta vs tors. theta energy: -227.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2602.365596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.365596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.365596 (E_RNA) where: Base-Base interactions energy: -1848.204 where: short stacking energy: -743.322 Base-Backbone interact. energy: -1.165 local terms energy: -752.996953 where: bonds (distance) C4'-P energy: -126.087 bonds (distance) P-C4' energy: -131.998 flat angles C4'-P-C4' energy: -160.094 flat angles P-C4'-P energy: -95.819 tors. eta vs tors. theta energy: -238.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2495.537991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.537991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.537991 (E_RNA) where: Base-Base interactions energy: -1822.455 where: short stacking energy: -722.848 Base-Backbone interact. energy: -2.117 local terms energy: -670.965852 where: bonds (distance) C4'-P energy: -94.468 bonds (distance) P-C4' energy: -111.067 flat angles C4'-P-C4' energy: -141.802 flat angles P-C4'-P energy: -98.913 tors. eta vs tors. theta energy: -224.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2380.041069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.041069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.041069 (E_RNA) where: Base-Base interactions energy: -1679.221 where: short stacking energy: -689.228 Base-Backbone interact. energy: 1.855 local terms energy: -702.674449 where: bonds (distance) C4'-P energy: -115.978 bonds (distance) P-C4' energy: -119.518 flat angles C4'-P-C4' energy: -150.721 flat angles P-C4'-P energy: -108.973 tors. eta vs tors. theta energy: -207.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2277.426068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.426068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.426068 (E_RNA) where: Base-Base interactions energy: -1632.286 where: short stacking energy: -675.605 Base-Backbone interact. energy: 2.339 local terms energy: -647.479000 where: bonds (distance) C4'-P energy: -114.120 bonds (distance) P-C4' energy: -114.551 flat angles C4'-P-C4' energy: -131.578 flat angles P-C4'-P energy: -88.815 tors. eta vs tors. theta energy: -198.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2126.024783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.024783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.024783 (E_RNA) where: Base-Base interactions energy: -1541.527 where: short stacking energy: -615.429 Base-Backbone interact. energy: -1.649 local terms energy: -582.848793 where: bonds (distance) C4'-P energy: -86.188 bonds (distance) P-C4' energy: -101.669 flat angles C4'-P-C4' energy: -143.580 flat angles P-C4'-P energy: -67.081 tors. eta vs tors. theta energy: -184.331 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: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1997.383682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.383682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.383682 (E_RNA) where: Base-Base interactions energy: -1421.631 where: short stacking energy: -577.424 Base-Backbone interact. energy: -0.788 local terms energy: -574.964072 where: bonds (distance) C4'-P energy: -94.037 bonds (distance) P-C4' energy: -116.013 flat angles C4'-P-C4' energy: -129.341 flat angles P-C4'-P energy: -83.706 tors. eta vs tors. theta energy: -151.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1867.689422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.689422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.689422 (E_RNA) where: Base-Base interactions energy: -1300.388 where: short stacking energy: -538.328 Base-Backbone interact. energy: -0.452 local terms energy: -566.850023 where: bonds (distance) C4'-P energy: -93.611 bonds (distance) P-C4' energy: -114.748 flat angles C4'-P-C4' energy: -129.490 flat angles P-C4'-P energy: -72.940 tors. eta vs tors. theta energy: -156.060 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: 6 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -747.387339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.387339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.387339 (E_RNA) where: Base-Base interactions energy: -399.504 where: short stacking energy: -221.882 Base-Backbone interact. energy: -1.947 local terms energy: -345.935706 where: bonds (distance) C4'-P energy: -94.220 bonds (distance) P-C4' energy: -105.761 flat angles C4'-P-C4' energy: -92.804 flat angles P-C4'-P energy: -58.277 tors. eta vs tors. theta energy: 5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2734.509725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.509725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.509725 (E_RNA) where: Base-Base interactions energy: -1965.427 where: short stacking energy: -787.572 Base-Backbone interact. energy: 0.566 local terms energy: -769.649388 where: bonds (distance) C4'-P energy: -123.060 bonds (distance) P-C4' energy: -132.935 flat angles C4'-P-C4' energy: -157.915 flat angles P-C4'-P energy: -115.303 tors. eta vs tors. theta energy: -240.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2649.806702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.806702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.806702 (E_RNA) where: Base-Base interactions energy: -1887.699 where: short stacking energy: -770.423 Base-Backbone interact. energy: 5.867 local terms energy: -767.974872 where: bonds (distance) C4'-P energy: -132.665 bonds (distance) P-C4' energy: -140.328 flat angles C4'-P-C4' energy: -151.003 flat angles P-C4'-P energy: -114.479 tors. eta vs tors. theta energy: -229.500 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: 10 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2608.789583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.789583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.789583 (E_RNA) where: Base-Base interactions energy: -1870.157 where: short stacking energy: -766.308 Base-Backbone interact. energy: -2.887 local terms energy: -735.746382 where: bonds (distance) C4'-P energy: -123.575 bonds (distance) P-C4' energy: -119.319 flat angles C4'-P-C4' energy: -157.830 flat angles P-C4'-P energy: -105.511 tors. eta vs tors. theta energy: -229.512 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: 9 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2491.850193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.850193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.850193 (E_RNA) where: Base-Base interactions energy: -1801.546 where: short stacking energy: -704.386 Base-Backbone interact. energy: -2.124 local terms energy: -688.180476 where: bonds (distance) C4'-P energy: -112.639 bonds (distance) P-C4' energy: -123.532 flat angles C4'-P-C4' energy: -147.782 flat angles P-C4'-P energy: -93.008 tors. eta vs tors. theta energy: -211.219 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: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2406.576902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.576902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.576902 (E_RNA) where: Base-Base interactions energy: -1711.741 where: short stacking energy: -695.295 Base-Backbone interact. energy: -0.940 local terms energy: -693.895916 where: bonds (distance) C4'-P energy: -101.252 bonds (distance) P-C4' energy: -121.213 flat angles C4'-P-C4' energy: -151.170 flat angles P-C4'-P energy: -101.528 tors. eta vs tors. theta energy: -218.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2259.877663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.877663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.877663 (E_RNA) where: Base-Base interactions energy: -1602.069 where: short stacking energy: -659.885 Base-Backbone interact. energy: 0.487 local terms energy: -658.295380 where: bonds (distance) C4'-P energy: -128.554 bonds (distance) P-C4' energy: -103.584 flat angles C4'-P-C4' energy: -144.414 flat angles P-C4'-P energy: -77.892 tors. eta vs tors. theta energy: -203.852 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: 7 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2026.526293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.526293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.526293 (E_RNA) where: Base-Base interactions energy: -1434.621 where: short stacking energy: -565.289 Base-Backbone interact. energy: 0.408 local terms energy: -592.313355 where: bonds (distance) C4'-P energy: -108.166 bonds (distance) P-C4' energy: -120.430 flat angles C4'-P-C4' energy: -137.548 flat angles P-C4'-P energy: -85.524 tors. eta vs tors. theta energy: -140.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -2044.391666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.391666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.391666 (E_RNA) where: Base-Base interactions energy: -1472.982 where: short stacking energy: -611.141 Base-Backbone interact. energy: 0.594 local terms energy: -572.003730 where: bonds (distance) C4'-P energy: -93.504 bonds (distance) P-C4' energy: -94.061 flat angles C4'-P-C4' energy: -129.425 flat angles P-C4'-P energy: -88.797 tors. eta vs tors. theta energy: -166.217 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: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1822.128770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.128770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.128770 (E_RNA) where: Base-Base interactions energy: -1272.870 where: short stacking energy: -512.165 Base-Backbone interact. energy: 2.113 local terms energy: -551.372052 where: bonds (distance) C4'-P energy: -101.643 bonds (distance) P-C4' energy: -98.652 flat angles C4'-P-C4' energy: -111.767 flat angles P-C4'-P energy: -89.862 tors. eta vs tors. theta energy: -149.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -721.990984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.990984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.990984 (E_RNA) where: Base-Base interactions energy: -372.174 where: short stacking energy: -177.078 Base-Backbone interact. energy: 6.705 local terms energy: -356.521440 where: bonds (distance) C4'-P energy: -94.282 bonds (distance) P-C4' energy: -100.955 flat angles C4'-P-C4' energy: -106.527 flat angles P-C4'-P energy: -63.028 tors. eta vs tors. theta energy: 8.271 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: 3 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2731.510522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.510522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.510522 (E_RNA) where: Base-Base interactions energy: -1947.657 where: short stacking energy: -792.712 Base-Backbone interact. energy: -1.779 local terms energy: -782.074395 where: bonds (distance) C4'-P energy: -134.442 bonds (distance) P-C4' energy: -134.360 flat angles C4'-P-C4' energy: -159.198 flat angles P-C4'-P energy: -111.735 tors. eta vs tors. theta energy: -242.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2665.029979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.029979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.029979 (E_RNA) where: Base-Base interactions energy: -1910.055 where: short stacking energy: -747.932 Base-Backbone interact. energy: 0.418 local terms energy: -755.392287 where: bonds (distance) C4'-P energy: -131.829 bonds (distance) P-C4' energy: -131.444 flat angles C4'-P-C4' energy: -162.542 flat angles P-C4'-P energy: -113.960 tors. eta vs tors. theta energy: -215.618 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: 10 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2573.946605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.946605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.946605 (E_RNA) where: Base-Base interactions energy: -1826.108 where: short stacking energy: -726.077 Base-Backbone interact. energy: -4.103 local terms energy: -743.735566 where: bonds (distance) C4'-P energy: -131.955 bonds (distance) P-C4' energy: -126.066 flat angles C4'-P-C4' energy: -151.204 flat angles P-C4'-P energy: -104.662 tors. eta vs tors. theta energy: -229.850 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: 9 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2499.821400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.821400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.821400 (E_RNA) where: Base-Base interactions energy: -1771.508 where: short stacking energy: -728.976 Base-Backbone interact. energy: 2.427 local terms energy: -730.740255 where: bonds (distance) C4'-P energy: -133.493 bonds (distance) P-C4' energy: -131.878 flat angles C4'-P-C4' energy: -148.098 flat angles P-C4'-P energy: -100.170 tors. eta vs tors. theta energy: -217.101 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: 5, replica: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2417.935037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.935037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.935037 (E_RNA) where: Base-Base interactions energy: -1734.632 where: short stacking energy: -715.652 Base-Backbone interact. energy: 1.412 local terms energy: -684.714842 where: bonds (distance) C4'-P energy: -119.783 bonds (distance) P-C4' energy: -122.132 flat angles C4'-P-C4' energy: -143.180 flat angles P-C4'-P energy: -74.759 tors. eta vs tors. theta energy: -224.861 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: 4 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2305.099855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.099855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.099855 (E_RNA) where: Base-Base interactions energy: -1629.340 where: short stacking energy: -671.349 Base-Backbone interact. energy: 1.293 local terms energy: -677.052993 where: bonds (distance) C4'-P energy: -119.575 bonds (distance) P-C4' energy: -113.295 flat angles C4'-P-C4' energy: -144.572 flat angles P-C4'-P energy: -98.746 tors. eta vs tors. theta energy: -200.865 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: 7 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2060.213486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.213486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.213486 (E_RNA) where: Base-Base interactions energy: -1454.183 where: short stacking energy: -586.026 Base-Backbone interact. energy: -1.810 local terms energy: -604.220706 where: bonds (distance) C4'-P energy: -115.017 bonds (distance) P-C4' energy: -111.212 flat angles C4'-P-C4' energy: -142.277 flat angles P-C4'-P energy: -73.660 tors. eta vs tors. theta energy: -162.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -2077.834210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.834210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.834210 (E_RNA) where: Base-Base interactions energy: -1484.370 where: short stacking energy: -624.996 Base-Backbone interact. energy: -1.853 local terms energy: -591.611019 where: bonds (distance) C4'-P energy: -87.062 bonds (distance) P-C4' energy: -115.608 flat angles C4'-P-C4' energy: -127.536 flat angles P-C4'-P energy: -79.026 tors. eta vs tors. theta energy: -182.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1826.088027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.088027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.088027 (E_RNA) where: Base-Base interactions energy: -1301.306 where: short stacking energy: -529.141 Base-Backbone interact. energy: 1.979 local terms energy: -526.761028 where: bonds (distance) C4'-P energy: -91.477 bonds (distance) P-C4' energy: -115.199 flat angles C4'-P-C4' energy: -121.551 flat angles P-C4'-P energy: -53.156 tors. eta vs tors. theta energy: -145.378 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: 6 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -738.149892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.149892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.149892 (E_RNA) where: Base-Base interactions energy: -376.912 where: short stacking energy: -207.698 Base-Backbone interact. energy: 4.491 local terms energy: -365.728706 where: bonds (distance) C4'-P energy: -83.551 bonds (distance) P-C4' energy: -133.955 flat angles C4'-P-C4' energy: -97.972 flat angles P-C4'-P energy: -53.892 tors. eta vs tors. theta energy: 3.641 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: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2722.271646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.271646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.271646 (E_RNA) where: Base-Base interactions energy: -1942.719 where: short stacking energy: -790.960 Base-Backbone interact. energy: -0.701 local terms energy: -778.851732 where: bonds (distance) C4'-P energy: -137.096 bonds (distance) P-C4' energy: -132.308 flat angles C4'-P-C4' energy: -161.479 flat angles P-C4'-P energy: -110.524 tors. eta vs tors. theta energy: -237.446 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: 8 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2657.080528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.080528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.080528 (E_RNA) where: Base-Base interactions energy: -1897.058 where: short stacking energy: -748.570 Base-Backbone interact. energy: -2.218 local terms energy: -757.804392 where: bonds (distance) C4'-P energy: -135.267 bonds (distance) P-C4' energy: -139.392 flat angles C4'-P-C4' energy: -154.189 flat angles P-C4'-P energy: -100.637 tors. eta vs tors. theta energy: -228.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2571.762852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.762852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.762852 (E_RNA) where: Base-Base interactions energy: -1850.009 where: short stacking energy: -755.721 Base-Backbone interact. energy: 2.370 local terms energy: -724.124791 where: bonds (distance) C4'-P energy: -133.398 bonds (distance) P-C4' energy: -125.821 flat angles C4'-P-C4' energy: -146.594 flat angles P-C4'-P energy: -95.894 tors. eta vs tors. theta energy: -222.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2500.671341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.671341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.671341 (E_RNA) where: Base-Base interactions energy: -1795.590 where: short stacking energy: -734.380 Base-Backbone interact. energy: -1.299 local terms energy: -703.782012 where: bonds (distance) C4'-P energy: -113.627 bonds (distance) P-C4' energy: -121.956 flat angles C4'-P-C4' energy: -141.748 flat angles P-C4'-P energy: -106.587 tors. eta vs tors. theta energy: -219.864 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: 5, replica: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2407.704274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.704274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.704274 (E_RNA) where: Base-Base interactions energy: -1705.006 where: short stacking energy: -700.215 Base-Backbone interact. energy: -1.097 local terms energy: -701.601548 where: bonds (distance) C4'-P energy: -108.705 bonds (distance) P-C4' energy: -130.523 flat angles C4'-P-C4' energy: -150.323 flat angles P-C4'-P energy: -89.925 tors. eta vs tors. theta energy: -222.126 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: 452 Temperature: 1.150000 Total energy: -2337.509155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.509155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.509155 (E_RNA) where: Base-Base interactions energy: -1646.280 where: short stacking energy: -676.741 Base-Backbone interact. energy: 0.386 local terms energy: -691.615326 where: bonds (distance) C4'-P energy: -107.365 bonds (distance) P-C4' energy: -132.998 flat angles C4'-P-C4' energy: -147.085 flat angles P-C4'-P energy: -99.791 tors. eta vs tors. theta energy: -204.377 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: 2 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2185.563992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.563992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.563992 (E_RNA) where: Base-Base interactions energy: -1515.652 where: short stacking energy: -616.984 Base-Backbone interact. energy: -0.062 local terms energy: -669.849994 where: bonds (distance) C4'-P energy: -117.292 bonds (distance) P-C4' energy: -117.230 flat angles C4'-P-C4' energy: -137.654 flat angles P-C4'-P energy: -106.187 tors. eta vs tors. theta energy: -191.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -2044.289982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.289982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.289982 (E_RNA) where: Base-Base interactions energy: -1440.517 where: short stacking energy: -572.998 Base-Backbone interact. energy: 2.498 local terms energy: -606.271264 where: bonds (distance) C4'-P energy: -102.974 bonds (distance) P-C4' energy: -113.295 flat angles C4'-P-C4' energy: -138.141 flat angles P-C4'-P energy: -85.439 tors. eta vs tors. theta energy: -166.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1859.291747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.291747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.291747 (E_RNA) where: Base-Base interactions energy: -1319.942 where: short stacking energy: -554.025 Base-Backbone interact. energy: 3.611 local terms energy: -542.960571 where: bonds (distance) C4'-P energy: -101.389 bonds (distance) P-C4' energy: -117.015 flat angles C4'-P-C4' energy: -110.346 flat angles P-C4'-P energy: -63.492 tors. eta vs tors. theta energy: -150.719 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: 6 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -745.635253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.635253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.635253 (E_RNA) where: Base-Base interactions energy: -394.602 where: short stacking energy: -189.654 Base-Backbone interact. energy: 3.874 local terms energy: -354.906844 where: bonds (distance) C4'-P energy: -107.305 bonds (distance) P-C4' energy: -117.351 flat angles C4'-P-C4' energy: -80.733 flat angles P-C4'-P energy: -67.347 tors. eta vs tors. theta energy: 17.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2736.035403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.035403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.035403 (E_RNA) where: Base-Base interactions energy: -1939.850 where: short stacking energy: -786.257 Base-Backbone interact. energy: -0.975 local terms energy: -795.210936 where: bonds (distance) C4'-P energy: -137.007 bonds (distance) P-C4' energy: -145.950 flat angles C4'-P-C4' energy: -158.017 flat angles P-C4'-P energy: -108.752 tors. eta vs tors. theta energy: -245.485 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: 8 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2684.489778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.489778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.489778 (E_RNA) where: Base-Base interactions energy: -1923.426 where: short stacking energy: -774.543 Base-Backbone interact. energy: -1.440 local terms energy: -759.623465 where: bonds (distance) C4'-P energy: -138.929 bonds (distance) P-C4' energy: -138.606 flat angles C4'-P-C4' energy: -156.563 flat angles P-C4'-P energy: -99.337 tors. eta vs tors. theta energy: -226.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2547.622600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.622600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.622600 (E_RNA) where: Base-Base interactions energy: -1831.502 where: short stacking energy: -749.016 Base-Backbone interact. energy: 0.901 local terms energy: -717.021735 where: bonds (distance) C4'-P energy: -131.233 bonds (distance) P-C4' energy: -113.279 flat angles C4'-P-C4' energy: -146.963 flat angles P-C4'-P energy: -100.137 tors. eta vs tors. theta energy: -225.409 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: 9 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2514.348888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.348888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.348888 (E_RNA) where: Base-Base interactions energy: -1809.171 where: short stacking energy: -713.036 Base-Backbone interact. energy: -0.546 local terms energy: -704.632343 where: bonds (distance) C4'-P energy: -130.174 bonds (distance) P-C4' energy: -120.064 flat angles C4'-P-C4' energy: -138.965 flat angles P-C4'-P energy: -102.127 tors. eta vs tors. theta energy: -213.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2437.997034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.997034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.997034 (E_RNA) where: Base-Base interactions energy: -1746.528 where: short stacking energy: -705.053 Base-Backbone interact. energy: 0.568 local terms energy: -692.037666 where: bonds (distance) C4'-P energy: -112.089 bonds (distance) P-C4' energy: -131.927 flat angles C4'-P-C4' energy: -133.045 flat angles P-C4'-P energy: -86.554 tors. eta vs tors. theta energy: -228.422 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: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2331.676241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.676241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.676241 (E_RNA) where: Base-Base interactions energy: -1643.386 where: short stacking energy: -671.484 Base-Backbone interact. energy: -1.035 local terms energy: -687.255671 where: bonds (distance) C4'-P energy: -122.324 bonds (distance) P-C4' energy: -118.003 flat angles C4'-P-C4' energy: -147.297 flat angles P-C4'-P energy: -90.734 tors. eta vs tors. theta energy: -208.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2167.611249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.611249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.611249 (E_RNA) where: Base-Base interactions energy: -1516.649 where: short stacking energy: -629.488 Base-Backbone interact. energy: -3.318 local terms energy: -647.643704 where: bonds (distance) C4'-P energy: -113.975 bonds (distance) P-C4' energy: -111.125 flat angles C4'-P-C4' energy: -143.498 flat angles P-C4'-P energy: -94.289 tors. eta vs tors. theta energy: -184.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1947.670627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.670627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.670627 (E_RNA) where: Base-Base interactions energy: -1372.881 where: short stacking energy: -536.872 Base-Backbone interact. energy: 2.490 local terms energy: -577.279575 where: bonds (distance) C4'-P energy: -92.087 bonds (distance) P-C4' energy: -109.782 flat angles C4'-P-C4' energy: -129.767 flat angles P-C4'-P energy: -91.700 tors. eta vs tors. theta energy: -153.943 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: 5 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1851.470774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.470774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.470774 (E_RNA) where: Base-Base interactions energy: -1282.390 where: short stacking energy: -536.842 Base-Backbone interact. energy: 2.805 local terms energy: -571.886190 where: bonds (distance) C4'-P energy: -98.974 bonds (distance) P-C4' energy: -124.350 flat angles C4'-P-C4' energy: -121.887 flat angles P-C4'-P energy: -58.091 tors. eta vs tors. theta energy: -168.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -744.664877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.664877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.664877 (E_RNA) where: Base-Base interactions energy: -371.314 where: short stacking energy: -191.378 Base-Backbone interact. energy: -2.259 local terms energy: -371.091786 where: bonds (distance) C4'-P energy: -114.914 bonds (distance) P-C4' energy: -117.447 flat angles C4'-P-C4' energy: -78.822 flat angles P-C4'-P energy: -77.445 tors. eta vs tors. theta energy: 17.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2721.399963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.399963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.399963 (E_RNA) where: Base-Base interactions energy: -1944.699 where: short stacking energy: -786.347 Base-Backbone interact. energy: -2.960 local terms energy: -773.740272 where: bonds (distance) C4'-P energy: -134.745 bonds (distance) P-C4' energy: -139.862 flat angles C4'-P-C4' energy: -157.070 flat angles P-C4'-P energy: -107.770 tors. eta vs tors. theta energy: -234.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2651.930663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.930663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.930663 (E_RNA) where: Base-Base interactions energy: -1890.188 where: short stacking energy: -761.376 Base-Backbone interact. energy: -1.615 local terms energy: -760.127697 where: bonds (distance) C4'-P energy: -137.079 bonds (distance) P-C4' energy: -133.848 flat angles C4'-P-C4' energy: -151.127 flat angles P-C4'-P energy: -107.191 tors. eta vs tors. theta energy: -230.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2560.555444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.555444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.555444 (E_RNA) where: Base-Base interactions energy: -1811.240 where: short stacking energy: -729.021 Base-Backbone interact. energy: 4.822 local terms energy: -754.137306 where: bonds (distance) C4'-P energy: -132.839 bonds (distance) P-C4' energy: -138.950 flat angles C4'-P-C4' energy: -158.116 flat angles P-C4'-P energy: -97.764 tors. eta vs tors. theta energy: -226.468 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: 9 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2544.867719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.867719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.867719 (E_RNA) where: Base-Base interactions energy: -1796.137 where: short stacking energy: -723.726 Base-Backbone interact. energy: -3.036 local terms energy: -745.694734 where: bonds (distance) C4'-P energy: -126.674 bonds (distance) P-C4' energy: -132.208 flat angles C4'-P-C4' energy: -156.188 flat angles P-C4'-P energy: -96.491 tors. eta vs tors. theta energy: -234.134 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: 1 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2386.456391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.456391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.456391 (E_RNA) where: Base-Base interactions energy: -1697.664 where: short stacking energy: -715.674 Base-Backbone interact. energy: -1.292 local terms energy: -687.500138 where: bonds (distance) C4'-P energy: -98.665 bonds (distance) P-C4' energy: -122.503 flat angles C4'-P-C4' energy: -152.084 flat angles P-C4'-P energy: -92.722 tors. eta vs tors. theta energy: -221.526 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: 454 Temperature: 1.150000 Total energy: -2315.367764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.367764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.367764 (E_RNA) where: Base-Base interactions energy: -1640.672 where: short stacking energy: -662.810 Base-Backbone interact. energy: -1.785 local terms energy: -672.911233 where: bonds (distance) C4'-P energy: -99.474 bonds (distance) P-C4' energy: -127.591 flat angles C4'-P-C4' energy: -137.260 flat angles P-C4'-P energy: -103.160 tors. eta vs tors. theta energy: -205.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2119.696041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.696041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.696041 (E_RNA) where: Base-Base interactions energy: -1507.919 where: short stacking energy: -614.432 Base-Backbone interact. energy: -1.920 local terms energy: -609.857621 where: bonds (distance) C4'-P energy: -97.238 bonds (distance) P-C4' energy: -118.692 flat angles C4'-P-C4' energy: -136.050 flat angles P-C4'-P energy: -76.040 tors. eta vs tors. theta energy: -181.838 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: 454 Temperature: 1.250000 Total energy: -1960.627254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.627254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.627254 (E_RNA) where: Base-Base interactions energy: -1350.690 where: short stacking energy: -557.697 Base-Backbone interact. energy: -1.581 local terms energy: -608.357024 where: bonds (distance) C4'-P energy: -99.164 bonds (distance) P-C4' energy: -120.854 flat angles C4'-P-C4' energy: -129.388 flat angles P-C4'-P energy: -86.886 tors. eta vs tors. theta energy: -172.064 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: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1783.315862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.315862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.315862 (E_RNA) where: Base-Base interactions energy: -1246.432 where: short stacking energy: -517.969 Base-Backbone interact. energy: 0.188 local terms energy: -537.072093 where: bonds (distance) C4'-P energy: -83.303 bonds (distance) P-C4' energy: -110.609 flat angles C4'-P-C4' energy: -131.891 flat angles P-C4'-P energy: -67.164 tors. eta vs tors. theta energy: -144.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -774.285476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.285476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.285476 (E_RNA) where: Base-Base interactions energy: -357.812 where: short stacking energy: -189.290 Base-Backbone interact. energy: 3.937 local terms energy: -420.410125 where: bonds (distance) C4'-P energy: -111.047 bonds (distance) P-C4' energy: -124.018 flat angles C4'-P-C4' energy: -122.634 flat angles P-C4'-P energy: -50.709 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: 1, replica: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2713.624149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.624149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.624149 (E_RNA) where: Base-Base interactions energy: -1931.354 where: short stacking energy: -777.023 Base-Backbone interact. energy: -2.645 local terms energy: -779.625341 where: bonds (distance) C4'-P energy: -130.854 bonds (distance) P-C4' energy: -142.270 flat angles C4'-P-C4' energy: -162.927 flat angles P-C4'-P energy: -103.436 tors. eta vs tors. theta energy: -240.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2671.988741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.988741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.988741 (E_RNA) where: Base-Base interactions energy: -1901.026 where: short stacking energy: -774.671 Base-Backbone interact. energy: -1.040 local terms energy: -769.922647 where: bonds (distance) C4'-P energy: -134.234 bonds (distance) P-C4' energy: -129.472 flat angles C4'-P-C4' energy: -170.014 flat angles P-C4'-P energy: -114.407 tors. eta vs tors. theta energy: -221.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2581.462275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.462275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.462275 (E_RNA) where: Base-Base interactions energy: -1851.426 where: short stacking energy: -760.470 Base-Backbone interact. energy: 3.911 local terms energy: -733.947283 where: bonds (distance) C4'-P energy: -120.703 bonds (distance) P-C4' energy: -135.198 flat angles C4'-P-C4' energy: -145.712 flat angles P-C4'-P energy: -105.605 tors. eta vs tors. theta energy: -226.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2486.567861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.567861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.567861 (E_RNA) where: Base-Base interactions energy: -1764.030 where: short stacking energy: -723.720 Base-Backbone interact. energy: -2.902 local terms energy: -719.635990 where: bonds (distance) C4'-P energy: -116.490 bonds (distance) P-C4' energy: -131.717 flat angles C4'-P-C4' energy: -146.961 flat angles P-C4'-P energy: -106.117 tors. eta vs tors. theta energy: -218.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2394.091557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.091557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.091557 (E_RNA) where: Base-Base interactions energy: -1674.265 where: short stacking energy: -688.114 Base-Backbone interact. energy: 6.704 local terms energy: -726.530498 where: bonds (distance) C4'-P energy: -124.284 bonds (distance) P-C4' energy: -130.605 flat angles C4'-P-C4' energy: -154.283 flat angles P-C4'-P energy: -102.155 tors. eta vs tors. theta energy: -215.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2321.314120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.314120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.314120 (E_RNA) where: Base-Base interactions energy: -1636.275 where: short stacking energy: -678.346 Base-Backbone interact. energy: 0.086 local terms energy: -685.124965 where: bonds (distance) C4'-P energy: -108.034 bonds (distance) P-C4' energy: -129.161 flat angles C4'-P-C4' energy: -139.284 flat angles P-C4'-P energy: -102.729 tors. eta vs tors. theta energy: -205.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2150.848408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.848408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.848408 (E_RNA) where: Base-Base interactions energy: -1545.220 where: short stacking energy: -622.145 Base-Backbone interact. energy: 5.207 local terms energy: -610.835045 where: bonds (distance) C4'-P energy: -118.844 bonds (distance) P-C4' energy: -95.928 flat angles C4'-P-C4' energy: -125.376 flat angles P-C4'-P energy: -73.304 tors. eta vs tors. theta energy: -197.383 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: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1960.833120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.833120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.833120 (E_RNA) where: Base-Base interactions energy: -1388.711 where: short stacking energy: -549.088 Base-Backbone interact. energy: -2.004 local terms energy: -570.118825 where: bonds (distance) C4'-P energy: -110.530 bonds (distance) P-C4' energy: -102.874 flat angles C4'-P-C4' energy: -120.593 flat angles P-C4'-P energy: -82.233 tors. eta vs tors. theta energy: -153.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1781.668522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.668522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.668522 (E_RNA) where: Base-Base interactions energy: -1208.360 where: short stacking energy: -495.789 Base-Backbone interact. energy: -0.359 local terms energy: -572.949288 where: bonds (distance) C4'-P energy: -101.615 bonds (distance) P-C4' energy: -117.897 flat angles C4'-P-C4' energy: -134.678 flat angles P-C4'-P energy: -77.897 tors. eta vs tors. theta energy: -140.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -770.124551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.124551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.124551 (E_RNA) where: Base-Base interactions energy: -420.593 where: short stacking energy: -204.028 Base-Backbone interact. energy: -0.132 local terms energy: -349.399564 where: bonds (distance) C4'-P energy: -105.438 bonds (distance) P-C4' energy: -102.499 flat angles C4'-P-C4' energy: -95.743 flat angles P-C4'-P energy: -56.354 tors. eta vs tors. theta energy: 10.635 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: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2700.274339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.274339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.274339 (E_RNA) where: Base-Base interactions energy: -1903.177 where: short stacking energy: -767.115 Base-Backbone interact. energy: -2.518 local terms energy: -794.579495 where: bonds (distance) C4'-P energy: -143.832 bonds (distance) P-C4' energy: -132.487 flat angles C4'-P-C4' energy: -162.674 flat angles P-C4'-P energy: -109.211 tors. eta vs tors. theta energy: -246.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2638.757129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.757129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.757129 (E_RNA) where: Base-Base interactions energy: -1898.967 where: short stacking energy: -766.434 Base-Backbone interact. energy: 0.064 local terms energy: -739.854491 where: bonds (distance) C4'-P energy: -124.504 bonds (distance) P-C4' energy: -124.615 flat angles C4'-P-C4' energy: -160.836 flat angles P-C4'-P energy: -102.436 tors. eta vs tors. theta energy: -227.463 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: 10 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2609.170266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.170266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.170266 (E_RNA) where: Base-Base interactions energy: -1849.090 where: short stacking energy: -758.663 Base-Backbone interact. energy: -2.360 local terms energy: -757.720867 where: bonds (distance) C4'-P energy: -136.744 bonds (distance) P-C4' energy: -128.325 flat angles C4'-P-C4' energy: -152.631 flat angles P-C4'-P energy: -101.945 tors. eta vs tors. theta energy: -238.075 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: 456 Temperature: 1.050000 Total energy: -2503.124894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.124894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.124894 (E_RNA) where: Base-Base interactions energy: -1766.759 where: short stacking energy: -738.469 Base-Backbone interact. energy: -0.056 local terms energy: -736.310531 where: bonds (distance) C4'-P energy: -123.726 bonds (distance) P-C4' energy: -127.959 flat angles C4'-P-C4' energy: -146.158 flat angles P-C4'-P energy: -105.662 tors. eta vs tors. theta energy: -232.806 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: 5, replica: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2373.400116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.400116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.400116 (E_RNA) where: Base-Base interactions energy: -1678.144 where: short stacking energy: -680.860 Base-Backbone interact. energy: 0.731 local terms energy: -695.986496 where: bonds (distance) C4'-P energy: -120.895 bonds (distance) P-C4' energy: -124.328 flat angles C4'-P-C4' energy: -152.735 flat angles P-C4'-P energy: -87.117 tors. eta vs tors. theta energy: -210.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2251.004815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.004815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.004815 (E_RNA) where: Base-Base interactions energy: -1580.972 where: short stacking energy: -656.415 Base-Backbone interact. energy: -1.005 local terms energy: -669.027560 where: bonds (distance) C4'-P energy: -119.888 bonds (distance) P-C4' energy: -135.177 flat angles C4'-P-C4' energy: -141.536 flat angles P-C4'-P energy: -87.676 tors. eta vs tors. theta energy: -184.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2221.405676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.405676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.405676 (E_RNA) where: Base-Base interactions energy: -1551.298 where: short stacking energy: -646.449 Base-Backbone interact. energy: -0.590 local terms energy: -669.517342 where: bonds (distance) C4'-P energy: -102.187 bonds (distance) P-C4' energy: -118.852 flat angles C4'-P-C4' energy: -151.258 flat angles P-C4'-P energy: -99.237 tors. eta vs tors. theta energy: -197.982 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: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1993.105206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.105206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.105206 (E_RNA) where: Base-Base interactions energy: -1377.982 where: short stacking energy: -550.480 Base-Backbone interact. energy: 1.947 local terms energy: -617.069553 where: bonds (distance) C4'-P energy: -106.932 bonds (distance) P-C4' energy: -116.656 flat angles C4'-P-C4' energy: -145.729 flat angles P-C4'-P energy: -81.776 tors. eta vs tors. theta energy: -165.976 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: 9, replica: 5 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1866.831806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.831806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.831806 (E_RNA) where: Base-Base interactions energy: -1306.049 where: short stacking energy: -538.860 Base-Backbone interact. energy: -1.071 local terms energy: -559.711971 where: bonds (distance) C4'-P energy: -108.836 bonds (distance) P-C4' energy: -113.082 flat angles C4'-P-C4' energy: -113.709 flat angles P-C4'-P energy: -82.553 tors. eta vs tors. theta energy: -141.532 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: 10, replica: 6 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -715.185872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.185872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.185872 (E_RNA) where: Base-Base interactions energy: -375.502 where: short stacking energy: -191.860 Base-Backbone interact. energy: 3.224 local terms energy: -342.907292 where: bonds (distance) C4'-P energy: -111.719 bonds (distance) P-C4' energy: -104.976 flat angles C4'-P-C4' energy: -79.126 flat angles P-C4'-P energy: -59.117 tors. eta vs tors. theta energy: 12.030 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: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2707.163998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.163998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.163998 (E_RNA) where: Base-Base interactions energy: -1931.758 where: short stacking energy: -777.039 Base-Backbone interact. energy: -2.719 local terms energy: -772.687622 where: bonds (distance) C4'-P energy: -127.135 bonds (distance) P-C4' energy: -136.118 flat angles C4'-P-C4' energy: -163.925 flat angles P-C4'-P energy: -109.814 tors. eta vs tors. theta energy: -235.696 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: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2672.967394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.967394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.967394 (E_RNA) where: Base-Base interactions energy: -1908.188 where: short stacking energy: -767.130 Base-Backbone interact. energy: -2.732 local terms energy: -762.046934 where: bonds (distance) C4'-P energy: -120.785 bonds (distance) P-C4' energy: -132.068 flat angles C4'-P-C4' energy: -165.070 flat angles P-C4'-P energy: -116.163 tors. eta vs tors. theta energy: -227.961 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: 10 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2576.001505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.001505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.001505 (E_RNA) where: Base-Base interactions energy: -1838.142 where: short stacking energy: -762.472 Base-Backbone interact. energy: -2.564 local terms energy: -735.295645 where: bonds (distance) C4'-P energy: -128.681 bonds (distance) P-C4' energy: -123.724 flat angles C4'-P-C4' energy: -148.681 flat angles P-C4'-P energy: -102.939 tors. eta vs tors. theta energy: -231.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2513.857135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.857135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.857135 (E_RNA) where: Base-Base interactions energy: -1775.691 where: short stacking energy: -714.996 Base-Backbone interact. energy: -1.674 local terms energy: -736.492013 where: bonds (distance) C4'-P energy: -121.534 bonds (distance) P-C4' energy: -125.092 flat angles C4'-P-C4' energy: -152.800 flat angles P-C4'-P energy: -112.253 tors. eta vs tors. theta energy: -224.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2395.212549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.212549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.212549 (E_RNA) where: Base-Base interactions energy: -1702.011 where: short stacking energy: -690.828 Base-Backbone interact. energy: -5.409 local terms energy: -687.791959 where: bonds (distance) C4'-P energy: -112.523 bonds (distance) P-C4' energy: -124.735 flat angles C4'-P-C4' energy: -150.436 flat angles P-C4'-P energy: -91.017 tors. eta vs tors. theta energy: -209.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2200.210432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.210432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.210432 (E_RNA) where: Base-Base interactions energy: -1542.477 where: short stacking energy: -633.394 Base-Backbone interact. energy: 4.073 local terms energy: -661.807164 where: bonds (distance) C4'-P energy: -131.369 bonds (distance) P-C4' energy: -112.423 flat angles C4'-P-C4' energy: -143.663 flat angles P-C4'-P energy: -82.589 tors. eta vs tors. theta energy: -191.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2204.275093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.275093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.275093 (E_RNA) where: Base-Base interactions energy: -1561.325 where: short stacking energy: -632.549 Base-Backbone interact. energy: -2.340 local terms energy: -640.610194 where: bonds (distance) C4'-P energy: -109.136 bonds (distance) P-C4' energy: -116.564 flat angles C4'-P-C4' energy: -141.158 flat angles P-C4'-P energy: -87.830 tors. eta vs tors. theta energy: -185.923 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: 7 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1973.974108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.974108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.974108 (E_RNA) where: Base-Base interactions energy: -1376.121 where: short stacking energy: -563.637 Base-Backbone interact. energy: 0.695 local terms energy: -598.548943 where: bonds (distance) C4'-P energy: -98.899 bonds (distance) P-C4' energy: -109.837 flat angles C4'-P-C4' energy: -137.276 flat angles P-C4'-P energy: -79.047 tors. eta vs tors. theta energy: -173.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1793.928086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.928086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.928086 (E_RNA) where: Base-Base interactions energy: -1261.900 where: short stacking energy: -520.016 Base-Backbone interact. energy: -2.995 local terms energy: -529.032556 where: bonds (distance) C4'-P energy: -101.811 bonds (distance) P-C4' energy: -103.080 flat angles C4'-P-C4' energy: -110.928 flat angles P-C4'-P energy: -70.629 tors. eta vs tors. theta energy: -142.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -720.990829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.990829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.990829 (E_RNA) where: Base-Base interactions energy: -331.809 where: short stacking energy: -188.898 Base-Backbone interact. energy: -0.251 local terms energy: -388.930110 where: bonds (distance) C4'-P energy: -109.180 bonds (distance) P-C4' energy: -117.412 flat angles C4'-P-C4' energy: -90.129 flat angles P-C4'-P energy: -66.447 tors. eta vs tors. theta energy: -5.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2745.967467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.967467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.967467 (E_RNA) where: Base-Base interactions energy: -1969.575 where: short stacking energy: -811.678 Base-Backbone interact. energy: 2.684 local terms energy: -779.076337 where: bonds (distance) C4'-P energy: -127.671 bonds (distance) P-C4' energy: -142.343 flat angles C4'-P-C4' energy: -161.888 flat angles P-C4'-P energy: -112.204 tors. eta vs tors. theta energy: -234.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2644.285079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.285079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.285079 (E_RNA) where: Base-Base interactions energy: -1892.584 where: short stacking energy: -753.632 Base-Backbone interact. energy: -1.250 local terms energy: -750.451692 where: bonds (distance) C4'-P energy: -131.990 bonds (distance) P-C4' energy: -135.441 flat angles C4'-P-C4' energy: -153.018 flat angles P-C4'-P energy: -99.912 tors. eta vs tors. theta energy: -230.091 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: 10 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2576.302747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.302747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.302747 (E_RNA) where: Base-Base interactions energy: -1846.438 where: short stacking energy: -776.000 Base-Backbone interact. energy: 1.042 local terms energy: -730.906607 where: bonds (distance) C4'-P energy: -121.724 bonds (distance) P-C4' energy: -122.853 flat angles C4'-P-C4' energy: -151.166 flat angles P-C4'-P energy: -96.272 tors. eta vs tors. theta energy: -238.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2468.098695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.098695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.098695 (E_RNA) where: Base-Base interactions energy: -1732.313 where: short stacking energy: -691.124 Base-Backbone interact. energy: -2.080 local terms energy: -733.706106 where: bonds (distance) C4'-P energy: -122.828 bonds (distance) P-C4' energy: -122.036 flat angles C4'-P-C4' energy: -158.394 flat angles P-C4'-P energy: -108.308 tors. eta vs tors. theta energy: -222.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2367.382238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.382238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.382238 (E_RNA) where: Base-Base interactions energy: -1673.902 where: short stacking energy: -688.444 Base-Backbone interact. energy: -3.844 local terms energy: -689.635969 where: bonds (distance) C4'-P energy: -123.212 bonds (distance) P-C4' energy: -115.294 flat angles C4'-P-C4' energy: -154.043 flat angles P-C4'-P energy: -84.856 tors. eta vs tors. theta energy: -212.231 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: 2 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2245.213190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.213190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.213190 (E_RNA) where: Base-Base interactions energy: -1558.155 where: short stacking energy: -634.309 Base-Backbone interact. energy: -1.802 local terms energy: -685.255760 where: bonds (distance) C4'-P energy: -127.459 bonds (distance) P-C4' energy: -118.322 flat angles C4'-P-C4' energy: -143.436 flat angles P-C4'-P energy: -101.480 tors. eta vs tors. theta energy: -194.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -2153.287383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.287383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.287383 (E_RNA) where: Base-Base interactions energy: -1507.284 where: short stacking energy: -605.510 Base-Backbone interact. energy: 0.994 local terms energy: -646.997471 where: bonds (distance) C4'-P energy: -112.385 bonds (distance) P-C4' energy: -125.425 flat angles C4'-P-C4' energy: -141.973 flat angles P-C4'-P energy: -95.210 tors. eta vs tors. theta energy: -172.005 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: 7 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -2000.360764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.360764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.360764 (E_RNA) where: Base-Base interactions energy: -1377.696 where: short stacking energy: -575.284 Base-Backbone interact. energy: 1.299 local terms energy: -623.963931 where: bonds (distance) C4'-P energy: -130.536 bonds (distance) P-C4' energy: -103.267 flat angles C4'-P-C4' energy: -133.555 flat angles P-C4'-P energy: -90.817 tors. eta vs tors. theta energy: -165.788 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: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1838.362510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.362510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.362510 (E_RNA) where: Base-Base interactions energy: -1271.137 where: short stacking energy: -514.951 Base-Backbone interact. energy: 5.364 local terms energy: -572.589749 where: bonds (distance) C4'-P energy: -109.609 bonds (distance) P-C4' energy: -116.932 flat angles C4'-P-C4' energy: -117.291 flat angles P-C4'-P energy: -77.866 tors. eta vs tors. theta energy: -150.892 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: 6 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -708.440056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.440056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.440056 (E_RNA) where: Base-Base interactions energy: -340.518 where: short stacking energy: -193.435 Base-Backbone interact. energy: -0.305 local terms energy: -367.616957 where: bonds (distance) C4'-P energy: -109.862 bonds (distance) P-C4' energy: -98.928 flat angles C4'-P-C4' energy: -98.565 flat angles P-C4'-P energy: -58.002 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2719.770489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.770489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.770489 (E_RNA) where: Base-Base interactions energy: -1938.987 where: short stacking energy: -783.274 Base-Backbone interact. energy: -0.546 local terms energy: -780.237150 where: bonds (distance) C4'-P energy: -128.663 bonds (distance) P-C4' energy: -140.076 flat angles C4'-P-C4' energy: -167.061 flat angles P-C4'-P energy: -111.148 tors. eta vs tors. theta energy: -233.289 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: 8 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2654.115498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.115498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.115498 (E_RNA) where: Base-Base interactions energy: -1896.564 where: short stacking energy: -766.189 Base-Backbone interact. energy: -1.174 local terms energy: -756.377303 where: bonds (distance) C4'-P energy: -116.459 bonds (distance) P-C4' energy: -133.999 flat angles C4'-P-C4' energy: -155.861 flat angles P-C4'-P energy: -110.716 tors. eta vs tors. theta energy: -239.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2580.235192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.235192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.235192 (E_RNA) where: Base-Base interactions energy: -1823.235 where: short stacking energy: -718.718 Base-Backbone interact. energy: -3.254 local terms energy: -753.746853 where: bonds (distance) C4'-P energy: -136.238 bonds (distance) P-C4' energy: -138.627 flat angles C4'-P-C4' energy: -153.229 flat angles P-C4'-P energy: -99.938 tors. eta vs tors. theta energy: -225.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2481.593992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.593992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.593992 (E_RNA) where: Base-Base interactions energy: -1751.668 where: short stacking energy: -709.662 Base-Backbone interact. energy: -0.326 local terms energy: -729.599502 where: bonds (distance) C4'-P energy: -122.889 bonds (distance) P-C4' energy: -131.274 flat angles C4'-P-C4' energy: -155.636 flat angles P-C4'-P energy: -103.756 tors. eta vs tors. theta energy: -216.045 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: 1 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2377.558617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.558617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.558617 (E_RNA) where: Base-Base interactions energy: -1700.513 where: short stacking energy: -675.921 Base-Backbone interact. energy: -1.009 local terms energy: -676.036764 where: bonds (distance) C4'-P energy: -109.579 bonds (distance) P-C4' energy: -130.756 flat angles C4'-P-C4' energy: -144.089 flat angles P-C4'-P energy: -83.981 tors. eta vs tors. theta energy: -207.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2263.950074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.950074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.950074 (E_RNA) where: Base-Base interactions energy: -1613.637 where: short stacking energy: -657.183 Base-Backbone interact. energy: -0.840 local terms energy: -649.473007 where: bonds (distance) C4'-P energy: -105.907 bonds (distance) P-C4' energy: -119.442 flat angles C4'-P-C4' energy: -141.732 flat angles P-C4'-P energy: -75.670 tors. eta vs tors. theta energy: -206.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2149.233275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.233275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.233275 (E_RNA) where: Base-Base interactions energy: -1513.233 where: short stacking energy: -620.531 Base-Backbone interact. energy: 2.598 local terms energy: -638.598487 where: bonds (distance) C4'-P energy: -114.718 bonds (distance) P-C4' energy: -111.567 flat angles C4'-P-C4' energy: -131.683 flat angles P-C4'-P energy: -89.871 tors. eta vs tors. theta energy: -190.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1924.646673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.646673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.646673 (E_RNA) where: Base-Base interactions energy: -1344.331 where: short stacking energy: -550.651 Base-Backbone interact. energy: 1.142 local terms energy: -581.458159 where: bonds (distance) C4'-P energy: -102.877 bonds (distance) P-C4' energy: -112.843 flat angles C4'-P-C4' energy: -124.511 flat angles P-C4'-P energy: -87.844 tors. eta vs tors. theta energy: -153.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1798.937659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.937659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.937659 (E_RNA) where: Base-Base interactions energy: -1256.008 where: short stacking energy: -522.521 Base-Backbone interact. energy: 0.160 local terms energy: -543.090051 where: bonds (distance) C4'-P energy: -91.040 bonds (distance) P-C4' energy: -117.039 flat angles C4'-P-C4' energy: -134.150 flat angles P-C4'-P energy: -63.957 tors. eta vs tors. theta energy: -136.905 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: 6 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -736.767959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.767959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.767959 (E_RNA) where: Base-Base interactions energy: -366.719 where: short stacking energy: -171.649 Base-Backbone interact. energy: -0.113 local terms energy: -369.936554 where: bonds (distance) C4'-P energy: -99.472 bonds (distance) P-C4' energy: -117.419 flat angles C4'-P-C4' energy: -112.192 flat angles P-C4'-P energy: -50.864 tors. eta vs tors. theta energy: 10.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2708.236737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.236737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.236737 (E_RNA) where: Base-Base interactions energy: -1938.866 where: short stacking energy: -777.244 Base-Backbone interact. energy: -1.358 local terms energy: -768.012695 where: bonds (distance) C4'-P energy: -132.264 bonds (distance) P-C4' energy: -135.991 flat angles C4'-P-C4' energy: -161.263 flat angles P-C4'-P energy: -108.631 tors. eta vs tors. theta energy: -229.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2649.673793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.673793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.673793 (E_RNA) where: Base-Base interactions energy: -1885.020 where: short stacking energy: -758.677 Base-Backbone interact. energy: -1.455 local terms energy: -763.198934 where: bonds (distance) C4'-P energy: -130.448 bonds (distance) P-C4' energy: -134.894 flat angles C4'-P-C4' energy: -152.163 flat angles P-C4'-P energy: -116.991 tors. eta vs tors. theta energy: -228.703 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: 10 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2577.359167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.359167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.359167 (E_RNA) where: Base-Base interactions energy: -1826.329 where: short stacking energy: -740.342 Base-Backbone interact. energy: 1.091 local terms energy: -752.121836 where: bonds (distance) C4'-P energy: -128.245 bonds (distance) P-C4' energy: -134.963 flat angles C4'-P-C4' energy: -153.240 flat angles P-C4'-P energy: -109.801 tors. eta vs tors. theta energy: -225.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2502.298187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.298187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.298187 (E_RNA) where: Base-Base interactions energy: -1787.472 where: short stacking energy: -723.293 Base-Backbone interact. energy: -1.043 local terms energy: -713.783241 where: bonds (distance) C4'-P energy: -116.079 bonds (distance) P-C4' energy: -134.530 flat angles C4'-P-C4' energy: -145.737 flat angles P-C4'-P energy: -100.522 tors. eta vs tors. theta energy: -216.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2421.973233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.973233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.973233 (E_RNA) where: Base-Base interactions energy: -1706.363 where: short stacking energy: -689.003 Base-Backbone interact. energy: -2.205 local terms energy: -713.405698 where: bonds (distance) C4'-P energy: -122.200 bonds (distance) P-C4' energy: -119.613 flat angles C4'-P-C4' energy: -161.031 flat angles P-C4'-P energy: -93.372 tors. eta vs tors. theta energy: -217.190 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: 2 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2254.950052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.950052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.950052 (E_RNA) where: Base-Base interactions energy: -1587.467 where: short stacking energy: -640.580 Base-Backbone interact. energy: 0.232 local terms energy: -667.714599 where: bonds (distance) C4'-P energy: -99.636 bonds (distance) P-C4' energy: -128.880 flat angles C4'-P-C4' energy: -143.972 flat angles P-C4'-P energy: -92.760 tors. eta vs tors. theta energy: -202.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2159.054090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.054090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.054090 (E_RNA) where: Base-Base interactions energy: -1523.723 where: short stacking energy: -613.277 Base-Backbone interact. energy: -1.654 local terms energy: -633.676868 where: bonds (distance) C4'-P energy: -99.026 bonds (distance) P-C4' energy: -117.534 flat angles C4'-P-C4' energy: -140.572 flat angles P-C4'-P energy: -103.290 tors. eta vs tors. theta energy: -173.255 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: 7 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1935.550887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.550887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.550887 (E_RNA) where: Base-Base interactions energy: -1353.817 where: short stacking energy: -559.397 Base-Backbone interact. energy: 0.221 local terms energy: -581.955253 where: bonds (distance) C4'-P energy: -91.282 bonds (distance) P-C4' energy: -109.752 flat angles C4'-P-C4' energy: -132.333 flat angles P-C4'-P energy: -97.555 tors. eta vs tors. theta energy: -151.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1827.856552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.856552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.856552 (E_RNA) where: Base-Base interactions energy: -1296.402 where: short stacking energy: -551.409 Base-Backbone interact. energy: 1.757 local terms energy: -533.212135 where: bonds (distance) C4'-P energy: -93.616 bonds (distance) P-C4' energy: -89.539 flat angles C4'-P-C4' energy: -112.834 flat angles P-C4'-P energy: -74.628 tors. eta vs tors. theta energy: -162.595 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: 6 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -765.375576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.375576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.375576 (E_RNA) where: Base-Base interactions energy: -378.294 where: short stacking energy: -203.327 Base-Backbone interact. energy: -0.535 local terms energy: -386.547325 where: bonds (distance) C4'-P energy: -116.245 bonds (distance) P-C4' energy: -107.117 flat angles C4'-P-C4' energy: -110.285 flat angles P-C4'-P energy: -54.404 tors. eta vs tors. theta energy: 1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2714.916106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.916106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.916106 (E_RNA) where: Base-Base interactions energy: -1935.202 where: short stacking energy: -799.493 Base-Backbone interact. energy: -1.311 local terms energy: -778.403269 where: bonds (distance) C4'-P energy: -120.134 bonds (distance) P-C4' energy: -137.076 flat angles C4'-P-C4' energy: -166.712 flat angles P-C4'-P energy: -116.423 tors. eta vs tors. theta energy: -238.059 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: 2, replica: 10 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2644.596945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.596945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.596945 (E_RNA) where: Base-Base interactions energy: -1888.645 where: short stacking energy: -743.951 Base-Backbone interact. energy: 4.462 local terms energy: -760.413963 where: bonds (distance) C4'-P energy: -138.902 bonds (distance) P-C4' energy: -138.007 flat angles C4'-P-C4' energy: -154.685 flat angles P-C4'-P energy: -111.752 tors. eta vs tors. theta energy: -217.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2597.909747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.909747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.909747 (E_RNA) where: Base-Base interactions energy: -1888.878 where: short stacking energy: -769.811 Base-Backbone interact. energy: -1.983 local terms energy: -707.049214 where: bonds (distance) C4'-P energy: -122.961 bonds (distance) P-C4' energy: -113.647 flat angles C4'-P-C4' energy: -146.500 flat angles P-C4'-P energy: -100.979 tors. eta vs tors. theta energy: -222.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2460.709097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.709097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.709097 (E_RNA) where: Base-Base interactions energy: -1741.565 where: short stacking energy: -702.297 Base-Backbone interact. energy: -0.802 local terms energy: -718.342714 where: bonds (distance) C4'-P energy: -111.681 bonds (distance) P-C4' energy: -125.156 flat angles C4'-P-C4' energy: -141.911 flat angles P-C4'-P energy: -105.597 tors. eta vs tors. theta energy: -233.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2417.088481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.088481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.088481 (E_RNA) where: Base-Base interactions energy: -1736.609 where: short stacking energy: -692.259 Base-Backbone interact. energy: -2.136 local terms energy: -678.343187 where: bonds (distance) C4'-P energy: -108.686 bonds (distance) P-C4' energy: -106.084 flat angles C4'-P-C4' energy: -157.026 flat angles P-C4'-P energy: -94.230 tors. eta vs tors. theta energy: -212.317 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: 4 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2219.345711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.345711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.345711 (E_RNA) where: Base-Base interactions energy: -1585.555 where: short stacking energy: -622.595 Base-Backbone interact. energy: 3.792 local terms energy: -637.583175 where: bonds (distance) C4'-P energy: -119.885 bonds (distance) P-C4' energy: -115.390 flat angles C4'-P-C4' energy: -141.877 flat angles P-C4'-P energy: -88.587 tors. eta vs tors. theta energy: -171.845 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: 7, replica: 2 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2165.018360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.018360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.018360 (E_RNA) where: Base-Base interactions energy: -1537.442 where: short stacking energy: -630.834 Base-Backbone interact. energy: 4.778 local terms energy: -632.354120 where: bonds (distance) C4'-P energy: -116.504 bonds (distance) P-C4' energy: -98.645 flat angles C4'-P-C4' energy: -139.621 flat angles P-C4'-P energy: -88.841 tors. eta vs tors. theta energy: -188.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1956.590575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.590575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.590575 (E_RNA) where: Base-Base interactions energy: -1375.771 where: short stacking energy: -550.807 Base-Backbone interact. energy: 2.832 local terms energy: -583.651519 where: bonds (distance) C4'-P energy: -104.345 bonds (distance) P-C4' energy: -122.400 flat angles C4'-P-C4' energy: -122.568 flat angles P-C4'-P energy: -80.647 tors. eta vs tors. theta energy: -153.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1895.742288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.742288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.742288 (E_RNA) where: Base-Base interactions energy: -1355.148 where: short stacking energy: -536.169 Base-Backbone interact. energy: 0.936 local terms energy: -541.530063 where: bonds (distance) C4'-P energy: -111.566 bonds (distance) P-C4' energy: -85.509 flat angles C4'-P-C4' energy: -110.789 flat angles P-C4'-P energy: -82.206 tors. eta vs tors. theta energy: -151.460 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: 6 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -801.304206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.304206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.304206 (E_RNA) where: Base-Base interactions energy: -440.409 where: short stacking energy: -237.895 Base-Backbone interact. energy: -0.695 local terms energy: -360.200653 where: bonds (distance) C4'-P energy: -92.508 bonds (distance) P-C4' energy: -93.285 flat angles C4'-P-C4' energy: -102.931 flat angles P-C4'-P energy: -56.137 tors. eta vs tors. theta energy: -15.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2701.506143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.506143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.506143 (E_RNA) where: Base-Base interactions energy: -1936.149 where: short stacking energy: -786.184 Base-Backbone interact. energy: -1.281 local terms energy: -764.076808 where: bonds (distance) C4'-P energy: -134.711 bonds (distance) P-C4' energy: -119.779 flat angles C4'-P-C4' energy: -157.469 flat angles P-C4'-P energy: -118.243 tors. eta vs tors. theta energy: -233.876 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: 2, replica: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2683.281088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.281088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.281088 (E_RNA) where: Base-Base interactions energy: -1925.281 where: short stacking energy: -778.919 Base-Backbone interact. energy: -3.128 local terms energy: -754.871423 where: bonds (distance) C4'-P energy: -116.150 bonds (distance) P-C4' energy: -133.883 flat angles C4'-P-C4' energy: -156.231 flat angles P-C4'-P energy: -107.536 tors. eta vs tors. theta energy: -241.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2626.356277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.356277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.356277 (E_RNA) where: Base-Base interactions energy: -1897.652 where: short stacking energy: -745.148 Base-Backbone interact. energy: -3.424 local terms energy: -725.280577 where: bonds (distance) C4'-P energy: -128.400 bonds (distance) P-C4' energy: -119.509 flat angles C4'-P-C4' energy: -145.353 flat angles P-C4'-P energy: -105.229 tors. eta vs tors. theta energy: -226.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2529.499494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.499494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.499494 (E_RNA) where: Base-Base interactions energy: -1816.717 where: short stacking energy: -724.938 Base-Backbone interact. energy: -1.411 local terms energy: -711.371648 where: bonds (distance) C4'-P energy: -113.210 bonds (distance) P-C4' energy: -124.320 flat angles C4'-P-C4' energy: -147.415 flat angles P-C4'-P energy: -107.287 tors. eta vs tors. theta energy: -219.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2422.904959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.904959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.904959 (E_RNA) where: Base-Base interactions energy: -1715.530 where: short stacking energy: -694.680 Base-Backbone interact. energy: 1.113 local terms energy: -708.487637 where: bonds (distance) C4'-P energy: -123.100 bonds (distance) P-C4' energy: -133.029 flat angles C4'-P-C4' energy: -146.640 flat angles P-C4'-P energy: -86.018 tors. eta vs tors. theta energy: -219.700 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: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2254.450888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.450888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.450888 (E_RNA) where: Base-Base interactions energy: -1594.072 where: short stacking energy: -643.879 Base-Backbone interact. energy: -2.701 local terms energy: -657.678234 where: bonds (distance) C4'-P energy: -111.972 bonds (distance) P-C4' energy: -122.049 flat angles C4'-P-C4' energy: -142.281 flat angles P-C4'-P energy: -84.596 tors. eta vs tors. theta energy: -196.780 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: 2 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2201.263663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.263663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.263663 (E_RNA) where: Base-Base interactions energy: -1568.393 where: short stacking energy: -627.770 Base-Backbone interact. energy: -2.054 local terms energy: -630.816658 where: bonds (distance) C4'-P energy: -122.924 bonds (distance) P-C4' energy: -113.856 flat angles C4'-P-C4' energy: -123.924 flat angles P-C4'-P energy: -78.718 tors. eta vs tors. theta energy: -191.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1980.572848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.572848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.572848 (E_RNA) where: Base-Base interactions energy: -1416.300 where: short stacking energy: -578.505 Base-Backbone interact. energy: -1.227 local terms energy: -563.045766 where: bonds (distance) C4'-P energy: -104.408 bonds (distance) P-C4' energy: -98.515 flat angles C4'-P-C4' energy: -125.700 flat angles P-C4'-P energy: -78.784 tors. eta vs tors. theta energy: -155.638 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: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1800.710900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.710900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.710900 (E_RNA) where: Base-Base interactions energy: -1254.495 where: short stacking energy: -525.909 Base-Backbone interact. energy: -1.717 local terms energy: -544.498224 where: bonds (distance) C4'-P energy: -89.539 bonds (distance) P-C4' energy: -107.391 flat angles C4'-P-C4' energy: -120.224 flat angles P-C4'-P energy: -83.971 tors. eta vs tors. theta energy: -143.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -839.697905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.697905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.697905 (E_RNA) where: Base-Base interactions energy: -454.495 where: short stacking energy: -252.198 Base-Backbone interact. energy: 1.514 local terms energy: -386.716181 where: bonds (distance) C4'-P energy: -117.602 bonds (distance) P-C4' energy: -105.970 flat angles C4'-P-C4' energy: -91.774 flat angles P-C4'-P energy: -50.886 tors. eta vs tors. theta energy: -20.484 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: 10 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2697.705016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.705016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.705016 (E_RNA) where: Base-Base interactions energy: -1939.117 where: short stacking energy: -775.142 Base-Backbone interact. energy: -2.782 local terms energy: -755.805730 where: bonds (distance) C4'-P energy: -134.220 bonds (distance) P-C4' energy: -129.101 flat angles C4'-P-C4' energy: -161.496 flat angles P-C4'-P energy: -97.208 tors. eta vs tors. theta energy: -233.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2681.581006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.581006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.581006 (E_RNA) where: Base-Base interactions energy: -1928.658 where: short stacking energy: -799.419 Base-Backbone interact. energy: -6.426 local terms energy: -746.497487 where: bonds (distance) C4'-P energy: -113.589 bonds (distance) P-C4' energy: -117.849 flat angles C4'-P-C4' energy: -159.553 flat angles P-C4'-P energy: -112.752 tors. eta vs tors. theta energy: -242.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2625.744271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.744271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.744271 (E_RNA) where: Base-Base interactions energy: -1870.701 where: short stacking energy: -733.689 Base-Backbone interact. energy: -1.631 local terms energy: -753.411960 where: bonds (distance) C4'-P energy: -137.384 bonds (distance) P-C4' energy: -142.681 flat angles C4'-P-C4' energy: -156.310 flat angles P-C4'-P energy: -96.627 tors. eta vs tors. theta energy: -220.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2505.194352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.194352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.194352 (E_RNA) where: Base-Base interactions energy: -1805.192 where: short stacking energy: -731.555 Base-Backbone interact. energy: -1.420 local terms energy: -698.581468 where: bonds (distance) C4'-P energy: -112.265 bonds (distance) P-C4' energy: -108.330 flat angles C4'-P-C4' energy: -154.394 flat angles P-C4'-P energy: -99.389 tors. eta vs tors. theta energy: -224.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2421.184173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.184173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.184173 (E_RNA) where: Base-Base interactions energy: -1746.073 where: short stacking energy: -738.928 Base-Backbone interact. energy: -0.415 local terms energy: -674.696940 where: bonds (distance) C4'-P energy: -123.766 bonds (distance) P-C4' energy: -114.258 flat angles C4'-P-C4' energy: -133.641 flat angles P-C4'-P energy: -84.036 tors. eta vs tors. theta energy: -218.996 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: 4 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2243.677972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.677972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.677972 (E_RNA) where: Base-Base interactions energy: -1574.771 where: short stacking energy: -654.779 Base-Backbone interact. energy: 0.780 local terms energy: -669.687126 where: bonds (distance) C4'-P energy: -109.859 bonds (distance) P-C4' energy: -132.544 flat angles C4'-P-C4' energy: -136.241 flat angles P-C4'-P energy: -95.349 tors. eta vs tors. theta energy: -195.694 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: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2170.812595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.812595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.812595 (E_RNA) where: Base-Base interactions energy: -1558.115 where: short stacking energy: -632.229 Base-Backbone interact. energy: -2.052 local terms energy: -610.645040 where: bonds (distance) C4'-P energy: -82.967 bonds (distance) P-C4' energy: -93.862 flat angles C4'-P-C4' energy: -145.899 flat angles P-C4'-P energy: -89.141 tors. eta vs tors. theta energy: -198.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1991.198559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.198559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.198559 (E_RNA) where: Base-Base interactions energy: -1392.338 where: short stacking energy: -571.822 Base-Backbone interact. energy: -2.746 local terms energy: -596.113963 where: bonds (distance) C4'-P energy: -106.690 bonds (distance) P-C4' energy: -114.222 flat angles C4'-P-C4' energy: -128.647 flat angles P-C4'-P energy: -80.089 tors. eta vs tors. theta energy: -166.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1804.634095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.634095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.634095 (E_RNA) where: Base-Base interactions energy: -1266.231 where: short stacking energy: -521.175 Base-Backbone interact. energy: -2.842 local terms energy: -535.561680 where: bonds (distance) C4'-P energy: -88.894 bonds (distance) P-C4' energy: -100.092 flat angles C4'-P-C4' energy: -126.093 flat angles P-C4'-P energy: -70.535 tors. eta vs tors. theta energy: -149.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -754.400829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.400829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.400829 (E_RNA) where: Base-Base interactions energy: -419.859 where: short stacking energy: -232.356 Base-Backbone interact. energy: 0.552 local terms energy: -335.092990 where: bonds (distance) C4'-P energy: -107.828 bonds (distance) P-C4' energy: -81.238 flat angles C4'-P-C4' energy: -97.566 flat angles P-C4'-P energy: -44.768 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: 1, replica: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2695.006435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.006435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.006435 (E_RNA) where: Base-Base interactions energy: -1926.482 where: short stacking energy: -779.207 Base-Backbone interact. energy: -0.322 local terms energy: -768.201817 where: bonds (distance) C4'-P energy: -130.703 bonds (distance) P-C4' energy: -133.138 flat angles C4'-P-C4' energy: -159.632 flat angles P-C4'-P energy: -108.121 tors. eta vs tors. theta energy: -236.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2650.240086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.240086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.240086 (E_RNA) where: Base-Base interactions energy: -1892.689 where: short stacking energy: -753.618 Base-Backbone interact. energy: -3.267 local terms energy: -754.283497 where: bonds (distance) C4'-P energy: -122.132 bonds (distance) P-C4' energy: -132.477 flat angles C4'-P-C4' energy: -157.561 flat angles P-C4'-P energy: -112.203 tors. eta vs tors. theta energy: -229.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2625.352591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.352591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.352591 (E_RNA) where: Base-Base interactions energy: -1901.346 where: short stacking energy: -768.188 Base-Backbone interact. energy: 1.816 local terms energy: -725.822823 where: bonds (distance) C4'-P energy: -107.790 bonds (distance) P-C4' energy: -125.314 flat angles C4'-P-C4' energy: -160.273 flat angles P-C4'-P energy: -102.593 tors. eta vs tors. theta energy: -229.854 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: 4, replica: 9 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2493.494760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.494760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.494760 (E_RNA) where: Base-Base interactions energy: -1766.795 where: short stacking energy: -721.519 Base-Backbone interact. energy: 1.498 local terms energy: -728.197729 where: bonds (distance) C4'-P energy: -138.479 bonds (distance) P-C4' energy: -118.669 flat angles C4'-P-C4' energy: -150.660 flat angles P-C4'-P energy: -94.214 tors. eta vs tors. theta energy: -226.176 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: 5, replica: 1 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2400.937522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.937522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.937522 (E_RNA) where: Base-Base interactions energy: -1722.668 where: short stacking energy: -683.588 Base-Backbone interact. energy: -1.033 local terms energy: -677.236043 where: bonds (distance) C4'-P energy: -121.196 bonds (distance) P-C4' energy: -114.934 flat angles C4'-P-C4' energy: -143.630 flat angles P-C4'-P energy: -87.643 tors. eta vs tors. theta energy: -209.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2266.940708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.940708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.940708 (E_RNA) where: Base-Base interactions energy: -1591.400 where: short stacking energy: -639.336 Base-Backbone interact. energy: -1.240 local terms energy: -674.300599 where: bonds (distance) C4'-P energy: -115.967 bonds (distance) P-C4' energy: -105.115 flat angles C4'-P-C4' energy: -145.812 flat angles P-C4'-P energy: -102.913 tors. eta vs tors. theta energy: -204.494 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: 2 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2086.237276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.237276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.237276 (E_RNA) where: Base-Base interactions energy: -1472.955 where: short stacking energy: -599.732 Base-Backbone interact. energy: 2.267 local terms energy: -615.549066 where: bonds (distance) C4'-P energy: -115.564 bonds (distance) P-C4' energy: -116.638 flat angles C4'-P-C4' energy: -124.784 flat angles P-C4'-P energy: -85.931 tors. eta vs tors. theta energy: -172.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1985.478541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.478541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.478541 (E_RNA) where: Base-Base interactions energy: -1427.140 where: short stacking energy: -571.777 Base-Backbone interact. energy: -2.311 local terms energy: -556.027365 where: bonds (distance) C4'-P energy: -101.395 bonds (distance) P-C4' energy: -106.274 flat angles C4'-P-C4' energy: -107.302 flat angles P-C4'-P energy: -85.587 tors. eta vs tors. theta energy: -155.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1815.329195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.329195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.329195 (E_RNA) where: Base-Base interactions energy: -1237.936 where: short stacking energy: -511.524 Base-Backbone interact. energy: 1.187 local terms energy: -578.580685 where: bonds (distance) C4'-P energy: -112.313 bonds (distance) P-C4' energy: -125.507 flat angles C4'-P-C4' energy: -125.380 flat angles P-C4'-P energy: -78.449 tors. eta vs tors. theta energy: -136.932 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: 6 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -762.723188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.723188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.723188 (E_RNA) where: Base-Base interactions energy: -353.316 where: short stacking energy: -199.304 Base-Backbone interact. energy: -2.717 local terms energy: -406.690419 where: bonds (distance) C4'-P energy: -120.677 bonds (distance) P-C4' energy: -125.040 flat angles C4'-P-C4' energy: -91.958 flat angles P-C4'-P energy: -55.583 tors. eta vs tors. theta energy: -13.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2708.733462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.733462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.733462 (E_RNA) where: Base-Base interactions energy: -1923.095 where: short stacking energy: -782.190 Base-Backbone interact. energy: -2.394 local terms energy: -783.244595 where: bonds (distance) C4'-P energy: -135.637 bonds (distance) P-C4' energy: -132.474 flat angles C4'-P-C4' energy: -171.552 flat angles P-C4'-P energy: -98.293 tors. eta vs tors. theta energy: -245.289 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: 8 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2648.146781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.146781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.146781 (E_RNA) where: Base-Base interactions energy: -1875.663 where: short stacking energy: -746.609 Base-Backbone interact. energy: -2.632 local terms energy: -769.852093 where: bonds (distance) C4'-P energy: -133.140 bonds (distance) P-C4' energy: -133.591 flat angles C4'-P-C4' energy: -161.689 flat angles P-C4'-P energy: -108.718 tors. eta vs tors. theta energy: -232.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2575.591556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.591556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.591556 (E_RNA) where: Base-Base interactions energy: -1831.785 where: short stacking energy: -729.615 Base-Backbone interact. energy: 4.373 local terms energy: -748.179787 where: bonds (distance) C4'-P energy: -132.127 bonds (distance) P-C4' energy: -123.572 flat angles C4'-P-C4' energy: -159.002 flat angles P-C4'-P energy: -98.414 tors. eta vs tors. theta energy: -235.065 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: 4, replica: 9 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2566.789514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.789514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.789514 (E_RNA) where: Base-Base interactions energy: -1809.398 where: short stacking energy: -778.106 Base-Backbone interact. energy: -0.410 local terms energy: -756.981719 where: bonds (distance) C4'-P energy: -125.900 bonds (distance) P-C4' energy: -129.345 flat angles C4'-P-C4' energy: -149.616 flat angles P-C4'-P energy: -112.290 tors. eta vs tors. theta energy: -239.831 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: 1 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2392.224066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.224066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.224066 (E_RNA) where: Base-Base interactions energy: -1708.557 where: short stacking energy: -670.578 Base-Backbone interact. energy: -2.452 local terms energy: -681.214885 where: bonds (distance) C4'-P energy: -123.448 bonds (distance) P-C4' energy: -118.503 flat angles C4'-P-C4' energy: -153.106 flat angles P-C4'-P energy: -81.543 tors. eta vs tors. theta energy: -204.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2254.398008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.398008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.398008 (E_RNA) where: Base-Base interactions energy: -1560.587 where: short stacking energy: -649.401 Base-Backbone interact. energy: -1.559 local terms energy: -692.251521 where: bonds (distance) C4'-P energy: -109.327 bonds (distance) P-C4' energy: -131.272 flat angles C4'-P-C4' energy: -142.698 flat angles P-C4'-P energy: -106.015 tors. eta vs tors. theta energy: -202.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2140.019460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.019460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.019460 (E_RNA) where: Base-Base interactions energy: -1528.435 where: short stacking energy: -628.452 Base-Backbone interact. energy: -2.254 local terms energy: -609.330640 where: bonds (distance) C4'-P energy: -112.629 bonds (distance) P-C4' energy: -122.958 flat angles C4'-P-C4' energy: -124.714 flat angles P-C4'-P energy: -69.513 tors. eta vs tors. theta energy: -179.518 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: 465 Temperature: 1.250000 Total energy: -2058.803532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.803532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.803532 (E_RNA) where: Base-Base interactions energy: -1471.061 where: short stacking energy: -612.850 Base-Backbone interact. energy: -1.638 local terms energy: -586.104134 where: bonds (distance) C4'-P energy: -112.878 bonds (distance) P-C4' energy: -114.640 flat angles C4'-P-C4' energy: -122.236 flat angles P-C4'-P energy: -64.444 tors. eta vs tors. theta energy: -171.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1834.926672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.926672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.926672 (E_RNA) where: Base-Base interactions energy: -1244.280 where: short stacking energy: -533.853 Base-Backbone interact. energy: -2.333 local terms energy: -588.314108 where: bonds (distance) C4'-P energy: -115.617 bonds (distance) P-C4' energy: -135.081 flat angles C4'-P-C4' energy: -108.606 flat angles P-C4'-P energy: -80.986 tors. eta vs tors. theta energy: -148.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -770.037736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.037736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.037736 (E_RNA) where: Base-Base interactions energy: -388.143 where: short stacking energy: -199.396 Base-Backbone interact. energy: -1.325 local terms energy: -380.569539 where: bonds (distance) C4'-P energy: -113.656 bonds (distance) P-C4' energy: -109.464 flat angles C4'-P-C4' energy: -91.359 flat angles P-C4'-P energy: -44.690 tors. eta vs tors. theta energy: -21.401 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: 1, replica: 3 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2709.277544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.277544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.277544 (E_RNA) where: Base-Base interactions energy: -1902.399 where: short stacking energy: -784.446 Base-Backbone interact. energy: -2.117 local terms energy: -804.761421 where: bonds (distance) C4'-P energy: -143.229 bonds (distance) P-C4' energy: -135.030 flat angles C4'-P-C4' energy: -169.335 flat angles P-C4'-P energy: -119.088 tors. eta vs tors. theta energy: -238.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2690.570102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.570102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.570102 (E_RNA) where: Base-Base interactions energy: -1940.372 where: short stacking energy: -777.740 Base-Backbone interact. energy: -0.986 local terms energy: -749.211781 where: bonds (distance) C4'-P energy: -129.229 bonds (distance) P-C4' energy: -135.673 flat angles C4'-P-C4' energy: -154.078 flat angles P-C4'-P energy: -103.516 tors. eta vs tors. theta energy: -226.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2592.302827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.302827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.302827 (E_RNA) where: Base-Base interactions energy: -1843.879 where: short stacking energy: -753.122 Base-Backbone interact. energy: -1.595 local terms energy: -746.828021 where: bonds (distance) C4'-P energy: -120.825 bonds (distance) P-C4' energy: -130.856 flat angles C4'-P-C4' energy: -161.412 flat angles P-C4'-P energy: -98.830 tors. eta vs tors. theta energy: -234.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2531.691980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.691980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.691980 (E_RNA) where: Base-Base interactions energy: -1801.415 where: short stacking energy: -753.481 Base-Backbone interact. energy: -0.816 local terms energy: -729.461229 where: bonds (distance) C4'-P energy: -126.827 bonds (distance) P-C4' energy: -122.571 flat angles C4'-P-C4' energy: -149.298 flat angles P-C4'-P energy: -101.177 tors. eta vs tors. theta energy: -229.588 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: 1 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2383.150824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.150824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.150824 (E_RNA) where: Base-Base interactions energy: -1700.823 where: short stacking energy: -681.981 Base-Backbone interact. energy: -0.539 local terms energy: -681.788850 where: bonds (distance) C4'-P energy: -100.735 bonds (distance) P-C4' energy: -121.401 flat angles C4'-P-C4' energy: -162.344 flat angles P-C4'-P energy: -85.055 tors. eta vs tors. theta energy: -212.253 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: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2285.998015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.998015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.998015 (E_RNA) where: Base-Base interactions energy: -1610.949 where: short stacking energy: -649.742 Base-Backbone interact. energy: 0.090 local terms energy: -675.138930 where: bonds (distance) C4'-P energy: -119.289 bonds (distance) P-C4' energy: -118.614 flat angles C4'-P-C4' energy: -139.344 flat angles P-C4'-P energy: -92.052 tors. eta vs tors. theta energy: -205.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2134.804939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.804939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.804939 (E_RNA) where: Base-Base interactions energy: -1524.875 where: short stacking energy: -607.125 Base-Backbone interact. energy: -1.469 local terms energy: -608.460530 where: bonds (distance) C4'-P energy: -113.111 bonds (distance) P-C4' energy: -126.654 flat angles C4'-P-C4' energy: -128.544 flat angles P-C4'-P energy: -75.420 tors. eta vs tors. theta energy: -164.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -2042.903955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.903955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.903955 (E_RNA) where: Base-Base interactions energy: -1443.836 where: short stacking energy: -578.573 Base-Backbone interact. energy: 2.089 local terms energy: -601.156208 where: bonds (distance) C4'-P energy: -111.800 bonds (distance) P-C4' energy: -107.152 flat angles C4'-P-C4' energy: -123.915 flat angles P-C4'-P energy: -83.572 tors. eta vs tors. theta energy: -174.716 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: 9, replica: 5 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1821.241746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.241746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.241746 (E_RNA) where: Base-Base interactions energy: -1259.920 where: short stacking energy: -531.124 Base-Backbone interact. energy: 1.006 local terms energy: -562.328170 where: bonds (distance) C4'-P energy: -98.875 bonds (distance) P-C4' energy: -101.051 flat angles C4'-P-C4' energy: -123.900 flat angles P-C4'-P energy: -87.505 tors. eta vs tors. theta energy: -150.997 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: 6 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -789.106396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.106396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.106396 (E_RNA) where: Base-Base interactions energy: -432.026 where: short stacking energy: -235.250 Base-Backbone interact. energy: 1.638 local terms energy: -358.717786 where: bonds (distance) C4'-P energy: -96.427 bonds (distance) P-C4' energy: -102.053 flat angles C4'-P-C4' energy: -102.343 flat angles P-C4'-P energy: -52.723 tors. eta vs tors. theta energy: -5.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2722.877194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.877194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.877194 (E_RNA) where: Base-Base interactions energy: -1936.577 where: short stacking energy: -787.530 Base-Backbone interact. energy: -2.778 local terms energy: -783.522320 where: bonds (distance) C4'-P energy: -126.129 bonds (distance) P-C4' energy: -141.959 flat angles C4'-P-C4' energy: -159.872 flat angles P-C4'-P energy: -110.532 tors. eta vs tors. theta energy: -245.030 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: 2, replica: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2669.681774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.681774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.681774 (E_RNA) where: Base-Base interactions energy: -1897.948 where: short stacking energy: -770.323 Base-Backbone interact. energy: -3.452 local terms energy: -768.282363 where: bonds (distance) C4'-P energy: -143.513 bonds (distance) P-C4' energy: -139.556 flat angles C4'-P-C4' energy: -151.654 flat angles P-C4'-P energy: -107.490 tors. eta vs tors. theta energy: -226.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2595.983743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.983743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.983743 (E_RNA) where: Base-Base interactions energy: -1852.781 where: short stacking energy: -726.793 Base-Backbone interact. energy: -3.992 local terms energy: -739.210342 where: bonds (distance) C4'-P energy: -119.427 bonds (distance) P-C4' energy: -138.623 flat angles C4'-P-C4' energy: -162.868 flat angles P-C4'-P energy: -93.691 tors. eta vs tors. theta energy: -224.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2447.730048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.730048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.730048 (E_RNA) where: Base-Base interactions energy: -1732.919 where: short stacking energy: -701.986 Base-Backbone interact. energy: -2.717 local terms energy: -712.093994 where: bonds (distance) C4'-P energy: -118.852 bonds (distance) P-C4' energy: -120.078 flat angles C4'-P-C4' energy: -145.384 flat angles P-C4'-P energy: -103.658 tors. eta vs tors. theta energy: -224.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2422.392561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.392561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.392561 (E_RNA) where: Base-Base interactions energy: -1728.633 where: short stacking energy: -681.013 Base-Backbone interact. energy: -0.902 local terms energy: -692.857893 where: bonds (distance) C4'-P energy: -119.516 bonds (distance) P-C4' energy: -127.672 flat angles C4'-P-C4' energy: -139.525 flat angles P-C4'-P energy: -93.204 tors. eta vs tors. theta energy: -212.941 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: 4 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2294.921885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.921885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.921885 (E_RNA) where: Base-Base interactions energy: -1620.679 where: short stacking energy: -666.765 Base-Backbone interact. energy: -0.674 local terms energy: -673.568399 where: bonds (distance) C4'-P energy: -122.486 bonds (distance) P-C4' energy: -123.885 flat angles C4'-P-C4' energy: -140.917 flat angles P-C4'-P energy: -77.676 tors. eta vs tors. theta energy: -208.605 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: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2195.381954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.381954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.381954 (E_RNA) where: Base-Base interactions energy: -1581.091 where: short stacking energy: -634.079 Base-Backbone interact. energy: 0.617 local terms energy: -614.908728 where: bonds (distance) C4'-P energy: -90.660 bonds (distance) P-C4' energy: -123.782 flat angles C4'-P-C4' energy: -125.137 flat angles P-C4'-P energy: -90.842 tors. eta vs tors. theta energy: -184.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -2037.127825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.127825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.127825 (E_RNA) where: Base-Base interactions energy: -1421.461 where: short stacking energy: -592.179 Base-Backbone interact. energy: -2.079 local terms energy: -613.587350 where: bonds (distance) C4'-P energy: -112.899 bonds (distance) P-C4' energy: -107.056 flat angles C4'-P-C4' energy: -136.822 flat angles P-C4'-P energy: -86.267 tors. eta vs tors. theta energy: -170.544 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: 467 Temperature: 1.300000 Total energy: -1893.148433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.148433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.148433 (E_RNA) where: Base-Base interactions energy: -1335.367 where: short stacking energy: -537.520 Base-Backbone interact. energy: -0.971 local terms energy: -556.810159 where: bonds (distance) C4'-P energy: -108.072 bonds (distance) P-C4' energy: -85.944 flat angles C4'-P-C4' energy: -129.656 flat angles P-C4'-P energy: -73.888 tors. eta vs tors. theta energy: -159.251 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: 6 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -832.095862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.095862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.095862 (E_RNA) where: Base-Base interactions energy: -447.075 where: short stacking energy: -215.204 Base-Backbone interact. energy: -0.926 local terms energy: -384.095489 where: bonds (distance) C4'-P energy: -101.472 bonds (distance) P-C4' energy: -120.704 flat angles C4'-P-C4' energy: -100.183 flat angles P-C4'-P energy: -54.117 tors. eta vs tors. theta energy: -7.619 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: 3 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2743.533501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.533501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.533501 (E_RNA) where: Base-Base interactions energy: -1941.288 where: short stacking energy: -792.690 Base-Backbone interact. energy: -0.890 local terms energy: -801.355500 where: bonds (distance) C4'-P energy: -134.660 bonds (distance) P-C4' energy: -147.377 flat angles C4'-P-C4' energy: -162.803 flat angles P-C4'-P energy: -108.067 tors. eta vs tors. theta energy: -248.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2642.822889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.822889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.822889 (E_RNA) where: Base-Base interactions energy: -1898.319 where: short stacking energy: -749.692 Base-Backbone interact. energy: 0.846 local terms energy: -745.349552 where: bonds (distance) C4'-P energy: -133.464 bonds (distance) P-C4' energy: -136.006 flat angles C4'-P-C4' energy: -149.017 flat angles P-C4'-P energy: -99.781 tors. eta vs tors. theta energy: -227.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2602.971567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.971567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.971567 (E_RNA) where: Base-Base interactions energy: -1853.038 where: short stacking energy: -752.376 Base-Backbone interact. energy: -1.159 local terms energy: -748.774249 where: bonds (distance) C4'-P energy: -114.015 bonds (distance) P-C4' energy: -135.057 flat angles C4'-P-C4' energy: -158.365 flat angles P-C4'-P energy: -109.451 tors. eta vs tors. theta energy: -231.886 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: 468 Temperature: 1.050000 Total energy: -2483.825943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.825943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.825943 (E_RNA) where: Base-Base interactions energy: -1755.362 where: short stacking energy: -716.474 Base-Backbone interact. energy: -3.416 local terms energy: -725.047792 where: bonds (distance) C4'-P energy: -125.026 bonds (distance) P-C4' energy: -128.489 flat angles C4'-P-C4' energy: -153.228 flat angles P-C4'-P energy: -102.299 tors. eta vs tors. theta energy: -216.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2400.297364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.297364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.297364 (E_RNA) where: Base-Base interactions energy: -1692.509 where: short stacking energy: -682.555 Base-Backbone interact. energy: -1.389 local terms energy: -706.399449 where: bonds (distance) C4'-P energy: -124.712 bonds (distance) P-C4' energy: -119.909 flat angles C4'-P-C4' energy: -156.649 flat angles P-C4'-P energy: -93.970 tors. eta vs tors. theta energy: -211.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2307.370521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.370521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.370521 (E_RNA) where: Base-Base interactions energy: -1649.526 where: short stacking energy: -670.771 Base-Backbone interact. energy: -1.081 local terms energy: -656.763650 where: bonds (distance) C4'-P energy: -114.845 bonds (distance) P-C4' energy: -121.720 flat angles C4'-P-C4' energy: -141.025 flat angles P-C4'-P energy: -77.478 tors. eta vs tors. theta energy: -201.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2166.236804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.236804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.236804 (E_RNA) where: Base-Base interactions energy: -1530.262 where: short stacking energy: -616.694 Base-Backbone interact. energy: 4.670 local terms energy: -640.644172 where: bonds (distance) C4'-P energy: -110.606 bonds (distance) P-C4' energy: -115.806 flat angles C4'-P-C4' energy: -140.389 flat angles P-C4'-P energy: -92.985 tors. eta vs tors. theta energy: -180.858 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: 468 Temperature: 1.250000 Total energy: -2011.710815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.710815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.710815 (E_RNA) where: Base-Base interactions energy: -1438.331 where: short stacking energy: -576.298 Base-Backbone interact. energy: 2.791 local terms energy: -576.171465 where: bonds (distance) C4'-P energy: -103.882 bonds (distance) P-C4' energy: -95.029 flat angles C4'-P-C4' energy: -130.250 flat angles P-C4'-P energy: -80.711 tors. eta vs tors. theta energy: -166.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1864.826389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.826389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.826389 (E_RNA) where: Base-Base interactions energy: -1274.208 where: short stacking energy: -516.470 Base-Backbone interact. energy: 2.956 local terms energy: -593.574576 where: bonds (distance) C4'-P energy: -107.211 bonds (distance) P-C4' energy: -126.598 flat angles C4'-P-C4' energy: -135.838 flat angles P-C4'-P energy: -76.891 tors. eta vs tors. theta energy: -147.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -809.552084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.552084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.552084 (E_RNA) where: Base-Base interactions energy: -421.344 where: short stacking energy: -211.458 Base-Backbone interact. energy: 1.178 local terms energy: -389.385737 where: bonds (distance) C4'-P energy: -87.665 bonds (distance) P-C4' energy: -125.958 flat angles C4'-P-C4' energy: -100.820 flat angles P-C4'-P energy: -70.401 tors. eta vs tors. theta energy: -4.543 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: 3 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2732.223808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.223808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.223808 (E_RNA) where: Base-Base interactions energy: -1959.356 where: short stacking energy: -815.995 Base-Backbone interact. energy: -1.004 local terms energy: -771.864126 where: bonds (distance) C4'-P energy: -127.367 bonds (distance) P-C4' energy: -133.280 flat angles C4'-P-C4' energy: -146.416 flat angles P-C4'-P energy: -117.856 tors. eta vs tors. theta energy: -246.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2642.558381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.558381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.558381 (E_RNA) where: Base-Base interactions energy: -1914.649 where: short stacking energy: -762.057 Base-Backbone interact. energy: -0.685 local terms energy: -727.223637 where: bonds (distance) C4'-P energy: -135.666 bonds (distance) P-C4' energy: -112.519 flat angles C4'-P-C4' energy: -154.157 flat angles P-C4'-P energy: -95.464 tors. eta vs tors. theta energy: -229.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2580.901748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.901748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.901748 (E_RNA) where: Base-Base interactions energy: -1844.124 where: short stacking energy: -742.813 Base-Backbone interact. energy: -0.540 local terms energy: -736.238020 where: bonds (distance) C4'-P energy: -122.677 bonds (distance) P-C4' energy: -130.386 flat angles C4'-P-C4' energy: -147.704 flat angles P-C4'-P energy: -110.924 tors. eta vs tors. theta energy: -224.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2470.771141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.771141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.771141 (E_RNA) where: Base-Base interactions energy: -1751.981 where: short stacking energy: -734.195 Base-Backbone interact. energy: -0.746 local terms energy: -718.043631 where: bonds (distance) C4'-P energy: -113.344 bonds (distance) P-C4' energy: -131.631 flat angles C4'-P-C4' energy: -156.458 flat angles P-C4'-P energy: -97.462 tors. eta vs tors. theta energy: -219.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2442.240333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.240333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.240333 (E_RNA) where: Base-Base interactions energy: -1723.913 where: short stacking energy: -699.611 Base-Backbone interact. energy: -1.043 local terms energy: -717.284017 where: bonds (distance) C4'-P energy: -132.976 bonds (distance) P-C4' energy: -131.783 flat angles C4'-P-C4' energy: -146.577 flat angles P-C4'-P energy: -100.126 tors. eta vs tors. theta energy: -205.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2340.202314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.202314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.202314 (E_RNA) where: Base-Base interactions energy: -1678.369 where: short stacking energy: -650.038 Base-Backbone interact. energy: -1.976 local terms energy: -659.857521 where: bonds (distance) C4'-P energy: -128.689 bonds (distance) P-C4' energy: -108.871 flat angles C4'-P-C4' energy: -127.679 flat angles P-C4'-P energy: -102.819 tors. eta vs tors. theta energy: -191.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2190.827524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.827524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.827524 (E_RNA) where: Base-Base interactions energy: -1554.424 where: short stacking energy: -603.713 Base-Backbone interact. energy: -0.836 local terms energy: -635.567290 where: bonds (distance) C4'-P energy: -120.137 bonds (distance) P-C4' energy: -122.079 flat angles C4'-P-C4' energy: -128.459 flat angles P-C4'-P energy: -87.889 tors. eta vs tors. theta energy: -177.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1939.993003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.993003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.993003 (E_RNA) where: Base-Base interactions energy: -1395.008 where: short stacking energy: -541.274 Base-Backbone interact. energy: -0.846 local terms energy: -544.138923 where: bonds (distance) C4'-P energy: -87.151 bonds (distance) P-C4' energy: -107.002 flat angles C4'-P-C4' energy: -115.174 flat angles P-C4'-P energy: -81.263 tors. eta vs tors. theta energy: -153.549 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: 9, replica: 5 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1855.530057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.530057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.530057 (E_RNA) where: Base-Base interactions energy: -1339.117 where: short stacking energy: -539.844 Base-Backbone interact. energy: -0.341 local terms energy: -516.072348 where: bonds (distance) C4'-P energy: -91.691 bonds (distance) P-C4' energy: -82.272 flat angles C4'-P-C4' energy: -122.278 flat angles P-C4'-P energy: -73.343 tors. eta vs tors. theta energy: -146.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -742.572264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.572264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.572264 (E_RNA) where: Base-Base interactions energy: -361.777 where: short stacking energy: -206.317 Base-Backbone interact. energy: -2.302 local terms energy: -378.493020 where: bonds (distance) C4'-P energy: -100.443 bonds (distance) P-C4' energy: -105.387 flat angles C4'-P-C4' energy: -112.033 flat angles P-C4'-P energy: -60.633 tors. eta vs tors. theta energy: 0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2715.023102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.023102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.023102 (E_RNA) where: Base-Base interactions energy: -1948.426 where: short stacking energy: -792.657 Base-Backbone interact. energy: -3.534 local terms energy: -763.063387 where: bonds (distance) C4'-P energy: -116.001 bonds (distance) P-C4' energy: -125.857 flat angles C4'-P-C4' energy: -164.897 flat angles P-C4'-P energy: -120.153 tors. eta vs tors. theta energy: -236.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2653.329508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.329508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.329508 (E_RNA) where: Base-Base interactions energy: -1915.618 where: short stacking energy: -767.551 Base-Backbone interact. energy: -0.197 local terms energy: -737.514131 where: bonds (distance) C4'-P energy: -122.996 bonds (distance) P-C4' energy: -125.305 flat angles C4'-P-C4' energy: -153.863 flat angles P-C4'-P energy: -106.020 tors. eta vs tors. theta energy: -229.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2597.963576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.963576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.963576 (E_RNA) where: Base-Base interactions energy: -1877.066 where: short stacking energy: -759.401 Base-Backbone interact. energy: -1.459 local terms energy: -719.439295 where: bonds (distance) C4'-P energy: -115.916 bonds (distance) P-C4' energy: -128.214 flat angles C4'-P-C4' energy: -143.881 flat angles P-C4'-P energy: -101.072 tors. eta vs tors. theta energy: -230.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2455.761539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.761539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.761539 (E_RNA) where: Base-Base interactions energy: -1771.116 where: short stacking energy: -719.361 Base-Backbone interact. energy: -0.150 local terms energy: -684.495608 where: bonds (distance) C4'-P energy: -110.699 bonds (distance) P-C4' energy: -127.928 flat angles C4'-P-C4' energy: -135.417 flat angles P-C4'-P energy: -96.998 tors. eta vs tors. theta energy: -213.453 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: 9 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2432.593171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.593171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.593171 (E_RNA) where: Base-Base interactions energy: -1731.931 where: short stacking energy: -683.539 Base-Backbone interact. energy: -1.550 local terms energy: -699.112350 where: bonds (distance) C4'-P energy: -119.264 bonds (distance) P-C4' energy: -110.190 flat angles C4'-P-C4' energy: -150.333 flat angles P-C4'-P energy: -103.494 tors. eta vs tors. theta energy: -215.831 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: 4 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2300.989186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.989186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.989186 (E_RNA) where: Base-Base interactions energy: -1664.052 where: short stacking energy: -666.345 Base-Backbone interact. energy: 1.565 local terms energy: -638.502495 where: bonds (distance) C4'-P energy: -103.730 bonds (distance) P-C4' energy: -119.363 flat angles C4'-P-C4' energy: -140.651 flat angles P-C4'-P energy: -86.096 tors. eta vs tors. theta energy: -188.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2189.127553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.127553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.127553 (E_RNA) where: Base-Base interactions energy: -1585.897 where: short stacking energy: -627.225 Base-Backbone interact. energy: -0.908 local terms energy: -602.323079 where: bonds (distance) C4'-P energy: -104.316 bonds (distance) P-C4' energy: -116.836 flat angles C4'-P-C4' energy: -126.327 flat angles P-C4'-P energy: -78.459 tors. eta vs tors. theta energy: -176.384 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: 2 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1991.727076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.727076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.727076 (E_RNA) where: Base-Base interactions energy: -1382.299 where: short stacking energy: -582.180 Base-Backbone interact. energy: 4.917 local terms energy: -614.345141 where: bonds (distance) C4'-P energy: -109.403 bonds (distance) P-C4' energy: -102.444 flat angles C4'-P-C4' energy: -137.978 flat angles P-C4'-P energy: -90.843 tors. eta vs tors. theta energy: -173.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1916.067359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.067359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.067359 (E_RNA) where: Base-Base interactions energy: -1359.945 where: short stacking energy: -529.743 Base-Backbone interact. energy: -1.242 local terms energy: -554.881072 where: bonds (distance) C4'-P energy: -103.045 bonds (distance) P-C4' energy: -92.196 flat angles C4'-P-C4' energy: -131.052 flat angles P-C4'-P energy: -75.540 tors. eta vs tors. theta energy: -153.048 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: 6 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -749.242389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.242389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.242389 (E_RNA) where: Base-Base interactions energy: -369.795 where: short stacking energy: -232.554 Base-Backbone interact. energy: -2.204 local terms energy: -377.242966 where: bonds (distance) C4'-P energy: -104.878 bonds (distance) P-C4' energy: -108.099 flat angles C4'-P-C4' energy: -102.668 flat angles P-C4'-P energy: -58.175 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2755.013762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.013762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.013762 (E_RNA) where: Base-Base interactions energy: -1977.039 where: short stacking energy: -790.217 Base-Backbone interact. energy: -1.630 local terms energy: -776.344277 where: bonds (distance) C4'-P energy: -120.154 bonds (distance) P-C4' energy: -140.820 flat angles C4'-P-C4' energy: -158.737 flat angles P-C4'-P energy: -112.358 tors. eta vs tors. theta energy: -244.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2641.801575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.801575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.801575 (E_RNA) where: Base-Base interactions energy: -1891.987 where: short stacking energy: -764.270 Base-Backbone interact. energy: -0.306 local terms energy: -749.508912 where: bonds (distance) C4'-P energy: -135.191 bonds (distance) P-C4' energy: -130.658 flat angles C4'-P-C4' energy: -162.002 flat angles P-C4'-P energy: -103.737 tors. eta vs tors. theta energy: -217.921 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: 10 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2622.710877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.710877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.710877 (E_RNA) where: Base-Base interactions energy: -1882.963 where: short stacking energy: -744.755 Base-Backbone interact. energy: -0.993 local terms energy: -738.754004 where: bonds (distance) C4'-P energy: -129.327 bonds (distance) P-C4' energy: -123.268 flat angles C4'-P-C4' energy: -151.683 flat angles P-C4'-P energy: -98.209 tors. eta vs tors. theta energy: -236.267 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: 471 Temperature: 1.050000 Total energy: -2470.498286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.498286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.498286 (E_RNA) where: Base-Base interactions energy: -1744.828 where: short stacking energy: -719.026 Base-Backbone interact. energy: -1.569 local terms energy: -724.100936 where: bonds (distance) C4'-P energy: -127.709 bonds (distance) P-C4' energy: -131.790 flat angles C4'-P-C4' energy: -150.403 flat angles P-C4'-P energy: -92.735 tors. eta vs tors. theta energy: -221.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2390.779414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.779414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.779414 (E_RNA) where: Base-Base interactions energy: -1723.500 where: short stacking energy: -675.275 Base-Backbone interact. energy: -0.520 local terms energy: -666.759705 where: bonds (distance) C4'-P energy: -108.084 bonds (distance) P-C4' energy: -120.663 flat angles C4'-P-C4' energy: -133.945 flat angles P-C4'-P energy: -100.116 tors. eta vs tors. theta energy: -203.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2306.408877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.408877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.408877 (E_RNA) where: Base-Base interactions energy: -1613.973 where: short stacking energy: -660.300 Base-Backbone interact. energy: -3.551 local terms energy: -688.884838 where: bonds (distance) C4'-P energy: -114.669 bonds (distance) P-C4' energy: -123.079 flat angles C4'-P-C4' energy: -152.443 flat angles P-C4'-P energy: -98.965 tors. eta vs tors. theta energy: -199.730 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: 7 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2167.053818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.053818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.053818 (E_RNA) where: Base-Base interactions energy: -1526.033 where: short stacking energy: -611.087 Base-Backbone interact. energy: -1.797 local terms energy: -639.223787 where: bonds (distance) C4'-P energy: -107.365 bonds (distance) P-C4' energy: -107.214 flat angles C4'-P-C4' energy: -142.296 flat angles P-C4'-P energy: -95.606 tors. eta vs tors. theta energy: -186.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -2044.653924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.653924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.653924 (E_RNA) where: Base-Base interactions energy: -1472.977 where: short stacking energy: -620.285 Base-Backbone interact. energy: 3.246 local terms energy: -574.922861 where: bonds (distance) C4'-P energy: -88.924 bonds (distance) P-C4' energy: -108.202 flat angles C4'-P-C4' energy: -125.075 flat angles P-C4'-P energy: -90.824 tors. eta vs tors. theta energy: -161.899 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: 9, replica: 5 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1857.002566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.002566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.002566 (E_RNA) where: Base-Base interactions energy: -1315.448 where: short stacking energy: -540.100 Base-Backbone interact. energy: -1.326 local terms energy: -540.229326 where: bonds (distance) C4'-P energy: -95.135 bonds (distance) P-C4' energy: -105.400 flat angles C4'-P-C4' energy: -112.332 flat angles P-C4'-P energy: -71.272 tors. eta vs tors. theta energy: -156.090 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: 6 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -756.498828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.498828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.498828 (E_RNA) where: Base-Base interactions energy: -401.480 where: short stacking energy: -221.768 Base-Backbone interact. energy: 4.936 local terms energy: -359.954867 where: bonds (distance) C4'-P energy: -95.595 bonds (distance) P-C4' energy: -103.558 flat angles C4'-P-C4' energy: -110.142 flat angles P-C4'-P energy: -49.309 tors. eta vs tors. theta energy: -1.350 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: 1, replica: 3 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2727.553162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.553162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.553162 (E_RNA) where: Base-Base interactions energy: -1954.850 where: short stacking energy: -809.501 Base-Backbone interact. energy: -1.698 local terms energy: -771.005482 where: bonds (distance) C4'-P energy: -135.964 bonds (distance) P-C4' energy: -124.379 flat angles C4'-P-C4' energy: -153.833 flat angles P-C4'-P energy: -110.304 tors. eta vs tors. theta energy: -246.525 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: 8 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2647.023727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.023727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.023727 (E_RNA) where: Base-Base interactions energy: -1873.077 where: short stacking energy: -751.927 Base-Backbone interact. energy: -0.674 local terms energy: -773.272675 where: bonds (distance) C4'-P energy: -126.449 bonds (distance) P-C4' energy: -144.903 flat angles C4'-P-C4' energy: -162.761 flat angles P-C4'-P energy: -105.706 tors. eta vs tors. theta energy: -233.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2615.845536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.845536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.845536 (E_RNA) where: Base-Base interactions energy: -1887.623 where: short stacking energy: -753.700 Base-Backbone interact. energy: -2.409 local terms energy: -725.813288 where: bonds (distance) C4'-P energy: -109.077 bonds (distance) P-C4' energy: -131.107 flat angles C4'-P-C4' energy: -157.769 flat angles P-C4'-P energy: -93.087 tors. eta vs tors. theta energy: -234.773 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: 472 Temperature: 1.050000 Total energy: -2466.928768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.928768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.928768 (E_RNA) where: Base-Base interactions energy: -1748.552 where: short stacking energy: -711.640 Base-Backbone interact. energy: -1.194 local terms energy: -717.182590 where: bonds (distance) C4'-P energy: -122.548 bonds (distance) P-C4' energy: -128.098 flat angles C4'-P-C4' energy: -150.979 flat angles P-C4'-P energy: -92.484 tors. eta vs tors. theta energy: -223.074 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: 472 Temperature: 1.100000 Total energy: -2423.212795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.212795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.212795 (E_RNA) where: Base-Base interactions energy: -1725.159 where: short stacking energy: -692.700 Base-Backbone interact. energy: -1.160 local terms energy: -696.893896 where: bonds (distance) C4'-P energy: -126.705 bonds (distance) P-C4' energy: -109.602 flat angles C4'-P-C4' energy: -152.967 flat angles P-C4'-P energy: -96.607 tors. eta vs tors. theta energy: -211.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2285.050928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.050928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.050928 (E_RNA) where: Base-Base interactions energy: -1647.401 where: short stacking energy: -659.283 Base-Backbone interact. energy: -0.569 local terms energy: -637.081212 where: bonds (distance) C4'-P energy: -126.039 bonds (distance) P-C4' energy: -108.635 flat angles C4'-P-C4' energy: -124.131 flat angles P-C4'-P energy: -77.040 tors. eta vs tors. theta energy: -201.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2200.206918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.206918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.206918 (E_RNA) where: Base-Base interactions energy: -1566.685 where: short stacking energy: -645.240 Base-Backbone interact. energy: -1.362 local terms energy: -632.159481 where: bonds (distance) C4'-P energy: -105.206 bonds (distance) P-C4' energy: -105.567 flat angles C4'-P-C4' energy: -139.766 flat angles P-C4'-P energy: -98.373 tors. eta vs tors. theta energy: -183.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1985.401859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.401859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.401859 (E_RNA) where: Base-Base interactions energy: -1406.944 where: short stacking energy: -555.746 Base-Backbone interact. energy: -1.591 local terms energy: -576.866305 where: bonds (distance) C4'-P energy: -86.886 bonds (distance) P-C4' energy: -112.476 flat angles C4'-P-C4' energy: -119.403 flat angles P-C4'-P energy: -96.458 tors. eta vs tors. theta energy: -161.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1838.979291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.979291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.979291 (E_RNA) where: Base-Base interactions energy: -1274.558 where: short stacking energy: -538.373 Base-Backbone interact. energy: -3.665 local terms energy: -560.755450 where: bonds (distance) C4'-P energy: -77.880 bonds (distance) P-C4' energy: -100.706 flat angles C4'-P-C4' energy: -138.251 flat angles P-C4'-P energy: -96.846 tors. eta vs tors. theta energy: -147.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -767.646873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.646873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.646873 (E_RNA) where: Base-Base interactions energy: -384.818 where: short stacking energy: -200.124 Base-Backbone interact. energy: 0.697 local terms energy: -383.525644 where: bonds (distance) C4'-P energy: -99.442 bonds (distance) P-C4' energy: -117.744 flat angles C4'-P-C4' energy: -109.628 flat angles P-C4'-P energy: -50.434 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: 3 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2724.030704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.030704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.030704 (E_RNA) where: Base-Base interactions energy: -1942.296 where: short stacking energy: -785.918 Base-Backbone interact. energy: -2.183 local terms energy: -779.552040 where: bonds (distance) C4'-P energy: -141.581 bonds (distance) P-C4' energy: -135.112 flat angles C4'-P-C4' energy: -160.775 flat angles P-C4'-P energy: -104.573 tors. eta vs tors. theta energy: -237.511 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: 8 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2610.047468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.047468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.047468 (E_RNA) where: Base-Base interactions energy: -1867.598 where: short stacking energy: -745.724 Base-Backbone interact. energy: -3.066 local terms energy: -739.383532 where: bonds (distance) C4'-P energy: -127.279 bonds (distance) P-C4' energy: -126.753 flat angles C4'-P-C4' energy: -154.664 flat angles P-C4'-P energy: -115.902 tors. eta vs tors. theta energy: -214.786 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: 10 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2623.883962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.883962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.883962 (E_RNA) where: Base-Base interactions energy: -1878.683 where: short stacking energy: -760.391 Base-Backbone interact. energy: -0.570 local terms energy: -744.631440 where: bonds (distance) C4'-P energy: -124.679 bonds (distance) P-C4' energy: -125.911 flat angles C4'-P-C4' energy: -147.778 flat angles P-C4'-P energy: -117.459 tors. eta vs tors. theta energy: -228.805 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: 473 Temperature: 1.050000 Total energy: -2504.915616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.915616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.915616 (E_RNA) where: Base-Base interactions energy: -1813.059 where: short stacking energy: -734.858 Base-Backbone interact. energy: -1.974 local terms energy: -689.883277 where: bonds (distance) C4'-P energy: -119.228 bonds (distance) P-C4' energy: -110.815 flat angles C4'-P-C4' energy: -144.382 flat angles P-C4'-P energy: -84.232 tors. eta vs tors. theta energy: -231.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2394.474925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.474925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.474925 (E_RNA) where: Base-Base interactions energy: -1686.062 where: short stacking energy: -682.310 Base-Backbone interact. energy: 2.018 local terms energy: -710.430460 where: bonds (distance) C4'-P energy: -124.859 bonds (distance) P-C4' energy: -126.096 flat angles C4'-P-C4' energy: -154.235 flat angles P-C4'-P energy: -90.889 tors. eta vs tors. theta energy: -214.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2293.170210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.170210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.170210 (E_RNA) where: Base-Base interactions energy: -1627.038 where: short stacking energy: -681.259 Base-Backbone interact. energy: -0.179 local terms energy: -665.952365 where: bonds (distance) C4'-P energy: -106.862 bonds (distance) P-C4' energy: -132.561 flat angles C4'-P-C4' energy: -130.549 flat angles P-C4'-P energy: -104.045 tors. eta vs tors. theta energy: -191.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2198.284613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.284613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.284613 (E_RNA) where: Base-Base interactions energy: -1557.795 where: short stacking energy: -615.934 Base-Backbone interact. energy: -0.696 local terms energy: -639.793559 where: bonds (distance) C4'-P energy: -104.835 bonds (distance) P-C4' energy: -119.363 flat angles C4'-P-C4' energy: -125.758 flat angles P-C4'-P energy: -97.376 tors. eta vs tors. theta energy: -192.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -2038.399362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.399362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.399362 (E_RNA) where: Base-Base interactions energy: -1436.023 where: short stacking energy: -584.286 Base-Backbone interact. energy: -2.020 local terms energy: -600.356493 where: bonds (distance) C4'-P energy: -110.221 bonds (distance) P-C4' energy: -100.562 flat angles C4'-P-C4' energy: -132.729 flat angles P-C4'-P energy: -90.680 tors. eta vs tors. theta energy: -166.164 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: 5 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1778.818249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.818249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.818249 (E_RNA) where: Base-Base interactions energy: -1228.694 where: short stacking energy: -503.851 Base-Backbone interact. energy: -1.632 local terms energy: -548.491753 where: bonds (distance) C4'-P energy: -114.921 bonds (distance) P-C4' energy: -102.691 flat angles C4'-P-C4' energy: -114.512 flat angles P-C4'-P energy: -80.225 tors. eta vs tors. theta energy: -136.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -751.560039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.560039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.560039 (E_RNA) where: Base-Base interactions energy: -375.784 where: short stacking energy: -191.044 Base-Backbone interact. energy: -3.657 local terms energy: -372.118402 where: bonds (distance) C4'-P energy: -92.625 bonds (distance) P-C4' energy: -109.177 flat angles C4'-P-C4' energy: -111.758 flat angles P-C4'-P energy: -51.318 tors. eta vs tors. theta energy: -7.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2750.027958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.027958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.027958 (E_RNA) where: Base-Base interactions energy: -1970.841 where: short stacking energy: -807.456 Base-Backbone interact. energy: -1.878 local terms energy: -777.309432 where: bonds (distance) C4'-P energy: -135.479 bonds (distance) P-C4' energy: -119.996 flat angles C4'-P-C4' energy: -164.110 flat angles P-C4'-P energy: -108.929 tors. eta vs tors. theta energy: -248.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2609.114175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.114175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.114175 (E_RNA) where: Base-Base interactions energy: -1880.785 where: short stacking energy: -746.043 Base-Backbone interact. energy: -5.593 local terms energy: -722.736754 where: bonds (distance) C4'-P energy: -125.792 bonds (distance) P-C4' energy: -117.188 flat angles C4'-P-C4' energy: -157.906 flat angles P-C4'-P energy: -118.720 tors. eta vs tors. theta energy: -203.130 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: 10 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2619.864700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.864700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.864700 (E_RNA) where: Base-Base interactions energy: -1886.854 where: short stacking energy: -773.302 Base-Backbone interact. energy: -1.798 local terms energy: -731.211928 where: bonds (distance) C4'-P energy: -120.524 bonds (distance) P-C4' energy: -116.722 flat angles C4'-P-C4' energy: -159.372 flat angles P-C4'-P energy: -99.961 tors. eta vs tors. theta energy: -234.633 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: 474 Temperature: 1.050000 Total energy: -2503.570659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.570659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.570659 (E_RNA) where: Base-Base interactions energy: -1819.383 where: short stacking energy: -733.182 Base-Backbone interact. energy: -1.026 local terms energy: -683.162540 where: bonds (distance) C4'-P energy: -109.058 bonds (distance) P-C4' energy: -111.833 flat angles C4'-P-C4' energy: -156.324 flat angles P-C4'-P energy: -83.121 tors. eta vs tors. theta energy: -222.827 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: 1 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2371.334279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.334279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.334279 (E_RNA) where: Base-Base interactions energy: -1682.390 where: short stacking energy: -702.148 Base-Backbone interact. energy: -1.939 local terms energy: -687.005825 where: bonds (distance) C4'-P energy: -106.346 bonds (distance) P-C4' energy: -132.123 flat angles C4'-P-C4' energy: -130.672 flat angles P-C4'-P energy: -97.018 tors. eta vs tors. theta energy: -220.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2294.487644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.487644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.487644 (E_RNA) where: Base-Base interactions energy: -1624.200 where: short stacking energy: -665.849 Base-Backbone interact. energy: 5.120 local terms energy: -675.407023 where: bonds (distance) C4'-P energy: -122.556 bonds (distance) P-C4' energy: -112.211 flat angles C4'-P-C4' energy: -146.908 flat angles P-C4'-P energy: -97.223 tors. eta vs tors. theta energy: -196.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -2218.475740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.475740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.475740 (E_RNA) where: Base-Base interactions energy: -1556.039 where: short stacking energy: -634.245 Base-Backbone interact. energy: 1.293 local terms energy: -663.729223 where: bonds (distance) C4'-P energy: -120.121 bonds (distance) P-C4' energy: -126.758 flat angles C4'-P-C4' energy: -131.396 flat angles P-C4'-P energy: -97.083 tors. eta vs tors. theta energy: -188.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -2008.112950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.112950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.112950 (E_RNA) where: Base-Base interactions energy: -1399.055 where: short stacking energy: -579.386 Base-Backbone interact. energy: -2.582 local terms energy: -606.475798 where: bonds (distance) C4'-P energy: -105.777 bonds (distance) P-C4' energy: -90.021 flat angles C4'-P-C4' energy: -140.942 flat angles P-C4'-P energy: -98.839 tors. eta vs tors. theta energy: -170.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1843.383503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.383503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.383503 (E_RNA) where: Base-Base interactions energy: -1288.782 where: short stacking energy: -518.873 Base-Backbone interact. energy: 1.271 local terms energy: -555.873073 where: bonds (distance) C4'-P energy: -110.983 bonds (distance) P-C4' energy: -110.617 flat angles C4'-P-C4' energy: -117.099 flat angles P-C4'-P energy: -74.448 tors. eta vs tors. theta energy: -142.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -748.522883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.522883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.522883 (E_RNA) where: Base-Base interactions energy: -396.524 where: short stacking energy: -218.189 Base-Backbone interact. energy: -0.618 local terms energy: -351.380804 where: bonds (distance) C4'-P energy: -107.150 bonds (distance) P-C4' energy: -102.811 flat angles C4'-P-C4' energy: -72.470 flat angles P-C4'-P energy: -67.272 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2747.258892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.258892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.258892 (E_RNA) where: Base-Base interactions energy: -1958.042 where: short stacking energy: -817.826 Base-Backbone interact. energy: -2.108 local terms energy: -787.108530 where: bonds (distance) C4'-P energy: -137.910 bonds (distance) P-C4' energy: -129.227 flat angles C4'-P-C4' energy: -161.394 flat angles P-C4'-P energy: -116.374 tors. eta vs tors. theta energy: -242.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2653.893108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.893108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.893108 (E_RNA) where: Base-Base interactions energy: -1916.150 where: short stacking energy: -770.054 Base-Backbone interact. energy: -3.311 local terms energy: -734.432494 where: bonds (distance) C4'-P energy: -118.271 bonds (distance) P-C4' energy: -135.453 flat angles C4'-P-C4' energy: -156.384 flat angles P-C4'-P energy: -103.148 tors. eta vs tors. theta energy: -221.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2612.346965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.346965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.346965 (E_RNA) where: Base-Base interactions energy: -1867.419 where: short stacking energy: -756.163 Base-Backbone interact. energy: -2.683 local terms energy: -742.244811 where: bonds (distance) C4'-P energy: -114.638 bonds (distance) P-C4' energy: -130.662 flat angles C4'-P-C4' energy: -159.082 flat angles P-C4'-P energy: -101.567 tors. eta vs tors. theta energy: -236.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2533.301618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.301618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.301618 (E_RNA) where: Base-Base interactions energy: -1814.079 where: short stacking energy: -724.031 Base-Backbone interact. energy: -1.509 local terms energy: -717.714314 where: bonds (distance) C4'-P energy: -119.658 bonds (distance) P-C4' energy: -115.757 flat angles C4'-P-C4' energy: -141.402 flat angles P-C4'-P energy: -116.307 tors. eta vs tors. theta energy: -224.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2413.783551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.783551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.783551 (E_RNA) where: Base-Base interactions energy: -1752.951 where: short stacking energy: -711.939 Base-Backbone interact. energy: -1.249 local terms energy: -659.583084 where: bonds (distance) C4'-P energy: -105.847 bonds (distance) P-C4' energy: -119.442 flat angles C4'-P-C4' energy: -141.262 flat angles P-C4'-P energy: -78.638 tors. eta vs tors. theta energy: -214.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2266.306693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.306693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.306693 (E_RNA) where: Base-Base interactions energy: -1589.451 where: short stacking energy: -655.969 Base-Backbone interact. energy: -0.447 local terms energy: -676.408824 where: bonds (distance) C4'-P energy: -111.554 bonds (distance) P-C4' energy: -124.874 flat angles C4'-P-C4' energy: -136.432 flat angles P-C4'-P energy: -100.802 tors. eta vs tors. theta energy: -202.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -2219.996340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.996340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.996340 (E_RNA) where: Base-Base interactions energy: -1568.664 where: short stacking energy: -651.566 Base-Backbone interact. energy: 1.201 local terms energy: -652.532722 where: bonds (distance) C4'-P energy: -111.578 bonds (distance) P-C4' energy: -116.393 flat angles C4'-P-C4' energy: -139.913 flat angles P-C4'-P energy: -92.099 tors. eta vs tors. theta energy: -192.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1919.568504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.568504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.568504 (E_RNA) where: Base-Base interactions energy: -1334.949 where: short stacking energy: -548.567 Base-Backbone interact. energy: -3.696 local terms energy: -580.923584 where: bonds (distance) C4'-P energy: -100.985 bonds (distance) P-C4' energy: -115.061 flat angles C4'-P-C4' energy: -123.204 flat angles P-C4'-P energy: -99.474 tors. eta vs tors. theta energy: -142.201 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: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1824.949733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.949733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.949733 (E_RNA) where: Base-Base interactions energy: -1261.597 where: short stacking energy: -518.063 Base-Backbone interact. energy: -2.549 local terms energy: -560.804047 where: bonds (distance) C4'-P energy: -105.728 bonds (distance) P-C4' energy: -114.533 flat angles C4'-P-C4' energy: -130.039 flat angles P-C4'-P energy: -80.479 tors. eta vs tors. theta energy: -130.025 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: 6 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -755.072932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.072932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.072932 (E_RNA) where: Base-Base interactions energy: -405.224 where: short stacking energy: -240.907 Base-Backbone interact. energy: 4.447 local terms energy: -354.296088 where: bonds (distance) C4'-P energy: -109.809 bonds (distance) P-C4' energy: -106.674 flat angles C4'-P-C4' energy: -80.469 flat angles P-C4'-P energy: -65.024 tors. eta vs tors. theta energy: 7.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2741.403623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.403623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.403623 (E_RNA) where: Base-Base interactions energy: -1962.746 where: short stacking energy: -794.773 Base-Backbone interact. energy: -1.756 local terms energy: -776.901549 where: bonds (distance) C4'-P energy: -135.948 bonds (distance) P-C4' energy: -125.108 flat angles C4'-P-C4' energy: -160.651 flat angles P-C4'-P energy: -114.726 tors. eta vs tors. theta energy: -240.470 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: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2655.754788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.754788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.754788 (E_RNA) where: Base-Base interactions energy: -1908.874 where: short stacking energy: -771.606 Base-Backbone interact. energy: -0.306 local terms energy: -746.574688 where: bonds (distance) C4'-P energy: -137.180 bonds (distance) P-C4' energy: -129.145 flat angles C4'-P-C4' energy: -153.967 flat angles P-C4'-P energy: -101.662 tors. eta vs tors. theta energy: -224.620 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: 9 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2567.416407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.416407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.416407 (E_RNA) where: Base-Base interactions energy: -1831.388 where: short stacking energy: -747.622 Base-Backbone interact. energy: -0.454 local terms energy: -735.573765 where: bonds (distance) C4'-P energy: -121.336 bonds (distance) P-C4' energy: -140.440 flat angles C4'-P-C4' energy: -136.016 flat angles P-C4'-P energy: -108.395 tors. eta vs tors. theta energy: -229.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2541.147774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.147774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.147774 (E_RNA) where: Base-Base interactions energy: -1802.313 where: short stacking energy: -720.878 Base-Backbone interact. energy: -0.238 local terms energy: -738.596868 where: bonds (distance) C4'-P energy: -134.892 bonds (distance) P-C4' energy: -129.094 flat angles C4'-P-C4' energy: -154.876 flat angles P-C4'-P energy: -100.924 tors. eta vs tors. theta energy: -218.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2390.884683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.884683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.884683 (E_RNA) where: Base-Base interactions energy: -1716.060 where: short stacking energy: -703.073 Base-Backbone interact. energy: -0.801 local terms energy: -674.023597 where: bonds (distance) C4'-P energy: -111.482 bonds (distance) P-C4' energy: -107.362 flat angles C4'-P-C4' energy: -154.894 flat angles P-C4'-P energy: -85.334 tors. eta vs tors. theta energy: -214.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2286.080895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.080895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.080895 (E_RNA) where: Base-Base interactions energy: -1609.588 where: short stacking energy: -666.492 Base-Backbone interact. energy: -0.817 local terms energy: -675.675505 where: bonds (distance) C4'-P energy: -113.806 bonds (distance) P-C4' energy: -126.930 flat angles C4'-P-C4' energy: -136.875 flat angles P-C4'-P energy: -97.022 tors. eta vs tors. theta energy: -201.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -2237.592795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.592795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.592795 (E_RNA) where: Base-Base interactions energy: -1589.451 where: short stacking energy: -654.038 Base-Backbone interact. energy: -1.925 local terms energy: -646.216128 where: bonds (distance) C4'-P energy: -121.693 bonds (distance) P-C4' energy: -98.849 flat angles C4'-P-C4' energy: -140.918 flat angles P-C4'-P energy: -91.940 tors. eta vs tors. theta energy: -192.816 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: 476 Temperature: 1.250000 Total energy: -1941.076026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.076026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.076026 (E_RNA) where: Base-Base interactions energy: -1359.480 where: short stacking energy: -535.167 Base-Backbone interact. energy: 0.206 local terms energy: -581.801786 where: bonds (distance) C4'-P energy: -106.352 bonds (distance) P-C4' energy: -111.110 flat angles C4'-P-C4' energy: -130.008 flat angles P-C4'-P energy: -72.292 tors. eta vs tors. theta energy: -162.040 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: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1830.766521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.766521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.766521 (E_RNA) where: Base-Base interactions energy: -1314.854 where: short stacking energy: -548.732 Base-Backbone interact. energy: 0.028 local terms energy: -515.940611 where: bonds (distance) C4'-P energy: -80.128 bonds (distance) P-C4' energy: -106.854 flat angles C4'-P-C4' energy: -110.919 flat angles P-C4'-P energy: -75.775 tors. eta vs tors. theta energy: -142.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -774.076292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.076292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.076292 (E_RNA) where: Base-Base interactions energy: -384.092 where: short stacking energy: -209.843 Base-Backbone interact. energy: 8.644 local terms energy: -398.628947 where: bonds (distance) C4'-P energy: -95.906 bonds (distance) P-C4' energy: -118.894 flat angles C4'-P-C4' energy: -105.244 flat angles P-C4'-P energy: -75.603 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: 3 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2718.586701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.586701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.586701 (E_RNA) where: Base-Base interactions energy: -1940.637 where: short stacking energy: -765.955 Base-Backbone interact. energy: -1.537 local terms energy: -776.413261 where: bonds (distance) C4'-P energy: -136.501 bonds (distance) P-C4' energy: -140.139 flat angles C4'-P-C4' energy: -157.285 flat angles P-C4'-P energy: -105.605 tors. eta vs tors. theta energy: -236.884 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: 8 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2652.952640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.952640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.952640 (E_RNA) where: Base-Base interactions energy: -1912.686 where: short stacking energy: -771.678 Base-Backbone interact. energy: -4.037 local terms energy: -736.229898 where: bonds (distance) C4'-P energy: -115.369 bonds (distance) P-C4' energy: -140.374 flat angles C4'-P-C4' energy: -149.456 flat angles P-C4'-P energy: -109.561 tors. eta vs tors. theta energy: -221.470 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: 477 Temperature: 1.000000 Total energy: -2545.984483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.984483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.984483 (E_RNA) where: Base-Base interactions energy: -1829.448 where: short stacking energy: -749.082 Base-Backbone interact. energy: -2.704 local terms energy: -713.833120 where: bonds (distance) C4'-P energy: -141.319 bonds (distance) P-C4' energy: -107.231 flat angles C4'-P-C4' energy: -136.094 flat angles P-C4'-P energy: -104.111 tors. eta vs tors. theta energy: -225.077 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: 477 Temperature: 1.050000 Total energy: -2526.745371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.745371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.745371 (E_RNA) where: Base-Base interactions energy: -1788.332 where: short stacking energy: -701.758 Base-Backbone interact. energy: -3.169 local terms energy: -735.243822 where: bonds (distance) C4'-P energy: -122.502 bonds (distance) P-C4' energy: -124.054 flat angles C4'-P-C4' energy: -153.116 flat angles P-C4'-P energy: -106.971 tors. eta vs tors. theta energy: -228.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2390.563525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.563525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.563525 (E_RNA) where: Base-Base interactions energy: -1699.589 where: short stacking energy: -677.075 Base-Backbone interact. energy: 1.672 local terms energy: -692.646408 where: bonds (distance) C4'-P energy: -126.374 bonds (distance) P-C4' energy: -108.980 flat angles C4'-P-C4' energy: -144.629 flat angles P-C4'-P energy: -99.967 tors. eta vs tors. theta energy: -212.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2259.182888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.182888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.182888 (E_RNA) where: Base-Base interactions energy: -1606.932 where: short stacking energy: -649.798 Base-Backbone interact. energy: -0.315 local terms energy: -651.935570 where: bonds (distance) C4'-P energy: -111.913 bonds (distance) P-C4' energy: -110.808 flat angles C4'-P-C4' energy: -137.332 flat angles P-C4'-P energy: -99.013 tors. eta vs tors. theta energy: -192.868 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: 7, replica: 7 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -2193.413770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.413770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.413770 (E_RNA) where: Base-Base interactions energy: -1561.516 where: short stacking energy: -629.363 Base-Backbone interact. energy: -0.255 local terms energy: -631.642464 where: bonds (distance) C4'-P energy: -112.780 bonds (distance) P-C4' energy: -111.491 flat angles C4'-P-C4' energy: -118.170 flat angles P-C4'-P energy: -95.069 tors. eta vs tors. theta energy: -194.133 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: 2 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -2029.478289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.478289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.478289 (E_RNA) where: Base-Base interactions energy: -1432.147 where: short stacking energy: -573.460 Base-Backbone interact. energy: -0.006 local terms energy: -597.324629 where: bonds (distance) C4'-P energy: -98.989 bonds (distance) P-C4' energy: -112.036 flat angles C4'-P-C4' energy: -125.474 flat angles P-C4'-P energy: -90.507 tors. eta vs tors. theta energy: -170.319 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: 5 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1857.981448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.981448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.981448 (E_RNA) where: Base-Base interactions energy: -1298.403 where: short stacking energy: -535.109 Base-Backbone interact. energy: -0.200 local terms energy: -559.378350 where: bonds (distance) C4'-P energy: -120.925 bonds (distance) P-C4' energy: -100.226 flat angles C4'-P-C4' energy: -126.994 flat angles P-C4'-P energy: -69.337 tors. eta vs tors. theta energy: -141.896 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: 10, replica: 6 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -785.663316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.663316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.663316 (E_RNA) where: Base-Base interactions energy: -409.626 where: short stacking energy: -208.717 Base-Backbone interact. energy: -1.816 local terms energy: -374.221977 where: bonds (distance) C4'-P energy: -111.951 bonds (distance) P-C4' energy: -109.441 flat angles C4'-P-C4' energy: -96.336 flat angles P-C4'-P energy: -49.550 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: 1, replica: 3 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2716.077212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.077212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.077212 (E_RNA) where: Base-Base interactions energy: -1945.125 where: short stacking energy: -808.365 Base-Backbone interact. energy: -2.334 local terms energy: -768.618795 where: bonds (distance) C4'-P energy: -137.762 bonds (distance) P-C4' energy: -121.694 flat angles C4'-P-C4' energy: -163.567 flat angles P-C4'-P energy: -101.793 tors. eta vs tors. theta energy: -243.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2692.838612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.838612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.838612 (E_RNA) where: Base-Base interactions energy: -1913.500 where: short stacking energy: -766.288 Base-Backbone interact. energy: 0.467 local terms energy: -779.805676 where: bonds (distance) C4'-P energy: -142.854 bonds (distance) P-C4' energy: -134.254 flat angles C4'-P-C4' energy: -159.963 flat angles P-C4'-P energy: -114.166 tors. eta vs tors. theta energy: -228.568 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: 3, replica: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2559.998706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.998706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.998706 (E_RNA) where: Base-Base interactions energy: -1828.336 where: short stacking energy: -749.316 Base-Backbone interact. energy: -1.254 local terms energy: -730.408599 where: bonds (distance) C4'-P energy: -110.058 bonds (distance) P-C4' energy: -134.140 flat angles C4'-P-C4' energy: -157.206 flat angles P-C4'-P energy: -94.542 tors. eta vs tors. theta energy: -234.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2547.141129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.141129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.141129 (E_RNA) where: Base-Base interactions energy: -1826.828 where: short stacking energy: -731.763 Base-Backbone interact. energy: -2.913 local terms energy: -717.400619 where: bonds (distance) C4'-P energy: -117.288 bonds (distance) P-C4' energy: -117.854 flat angles C4'-P-C4' energy: -160.257 flat angles P-C4'-P energy: -94.907 tors. eta vs tors. theta energy: -227.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2400.565782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.565782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.565782 (E_RNA) where: Base-Base interactions energy: -1725.611 where: short stacking energy: -706.378 Base-Backbone interact. energy: -1.159 local terms energy: -673.796111 where: bonds (distance) C4'-P energy: -121.266 bonds (distance) P-C4' energy: -112.166 flat angles C4'-P-C4' energy: -143.970 flat angles P-C4'-P energy: -84.167 tors. eta vs tors. theta energy: -212.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2318.714826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.714826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.714826 (E_RNA) where: Base-Base interactions energy: -1640.470 where: short stacking energy: -659.054 Base-Backbone interact. energy: -1.787 local terms energy: -676.458228 where: bonds (distance) C4'-P energy: -105.138 bonds (distance) P-C4' energy: -137.174 flat angles C4'-P-C4' energy: -136.219 flat angles P-C4'-P energy: -93.905 tors. eta vs tors. theta energy: -204.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2218.326635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.326635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.326635 (E_RNA) where: Base-Base interactions energy: -1558.293 where: short stacking energy: -629.494 Base-Backbone interact. energy: 0.885 local terms energy: -660.918823 where: bonds (distance) C4'-P energy: -107.525 bonds (distance) P-C4' energy: -115.242 flat angles C4'-P-C4' energy: -144.534 flat angles P-C4'-P energy: -99.828 tors. eta vs tors. theta energy: -193.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -2033.670427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.670427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.670427 (E_RNA) where: Base-Base interactions energy: -1428.274 where: short stacking energy: -590.937 Base-Backbone interact. energy: -2.514 local terms energy: -602.882731 where: bonds (distance) C4'-P energy: -99.643 bonds (distance) P-C4' energy: -110.928 flat angles C4'-P-C4' energy: -134.658 flat angles P-C4'-P energy: -90.667 tors. eta vs tors. theta energy: -166.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1867.225509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.225509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.225509 (E_RNA) where: Base-Base interactions energy: -1315.235 where: short stacking energy: -530.775 Base-Backbone interact. energy: 0.423 local terms energy: -552.412873 where: bonds (distance) C4'-P energy: -115.262 bonds (distance) P-C4' energy: -115.674 flat angles C4'-P-C4' energy: -126.334 flat angles P-C4'-P energy: -59.050 tors. eta vs tors. theta energy: -136.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -809.104548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.104548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.104548 (E_RNA) where: Base-Base interactions energy: -459.584 where: short stacking energy: -211.298 Base-Backbone interact. energy: 6.535 local terms energy: -356.055419 where: bonds (distance) C4'-P energy: -99.484 bonds (distance) P-C4' energy: -120.108 flat angles C4'-P-C4' energy: -85.015 flat angles P-C4'-P energy: -41.690 tors. eta vs tors. theta energy: -9.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2717.900661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.900661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.900661 (E_RNA) where: Base-Base interactions energy: -1930.995 where: short stacking energy: -785.730 Base-Backbone interact. energy: -0.704 local terms energy: -786.201386 where: bonds (distance) C4'-P energy: -125.326 bonds (distance) P-C4' energy: -144.930 flat angles C4'-P-C4' energy: -169.800 flat angles P-C4'-P energy: -107.091 tors. eta vs tors. theta energy: -239.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2677.748661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.748661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.748661 (E_RNA) where: Base-Base interactions energy: -1918.730 where: short stacking energy: -769.087 Base-Backbone interact. energy: -4.361 local terms energy: -754.657518 where: bonds (distance) C4'-P energy: -140.581 bonds (distance) P-C4' energy: -122.932 flat angles C4'-P-C4' energy: -163.323 flat angles P-C4'-P energy: -99.266 tors. eta vs tors. theta energy: -228.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2569.104112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.104112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.104112 (E_RNA) where: Base-Base interactions energy: -1829.107 where: short stacking energy: -768.693 Base-Backbone interact. energy: -1.947 local terms energy: -738.050414 where: bonds (distance) C4'-P energy: -126.840 bonds (distance) P-C4' energy: -129.233 flat angles C4'-P-C4' energy: -156.982 flat angles P-C4'-P energy: -87.762 tors. eta vs tors. theta energy: -237.234 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: 479 Temperature: 1.050000 Total energy: -2522.177419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.177419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.177419 (E_RNA) where: Base-Base interactions energy: -1789.949 where: short stacking energy: -748.915 Base-Backbone interact. energy: -2.322 local terms energy: -729.906357 where: bonds (distance) C4'-P energy: -128.970 bonds (distance) P-C4' energy: -127.111 flat angles C4'-P-C4' energy: -147.641 flat angles P-C4'-P energy: -101.447 tors. eta vs tors. theta energy: -224.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2401.640620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.640620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.640620 (E_RNA) where: Base-Base interactions energy: -1698.012 where: short stacking energy: -682.337 Base-Backbone interact. energy: -1.429 local terms energy: -702.200217 where: bonds (distance) C4'-P energy: -128.498 bonds (distance) P-C4' energy: -104.787 flat angles C4'-P-C4' energy: -157.082 flat angles P-C4'-P energy: -95.377 tors. eta vs tors. theta energy: -216.457 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: 479 Temperature: 1.150000 Total energy: -2283.397021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.397021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.397021 (E_RNA) where: Base-Base interactions energy: -1600.760 where: short stacking energy: -639.861 Base-Backbone interact. energy: -1.606 local terms energy: -681.031409 where: bonds (distance) C4'-P energy: -111.084 bonds (distance) P-C4' energy: -125.305 flat angles C4'-P-C4' energy: -144.652 flat angles P-C4'-P energy: -102.162 tors. eta vs tors. theta energy: -197.828 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: 7, replica: 7 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -2189.700501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.700501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.700501 (E_RNA) where: Base-Base interactions energy: -1544.274 where: short stacking energy: -616.695 Base-Backbone interact. energy: -1.043 local terms energy: -644.383603 where: bonds (distance) C4'-P energy: -120.488 bonds (distance) P-C4' energy: -115.853 flat angles C4'-P-C4' energy: -137.612 flat angles P-C4'-P energy: -85.347 tors. eta vs tors. theta energy: -185.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -2010.007378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.007378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.007378 (E_RNA) where: Base-Base interactions energy: -1428.309 where: short stacking energy: -596.201 Base-Backbone interact. energy: -0.089 local terms energy: -581.609824 where: bonds (distance) C4'-P energy: -96.187 bonds (distance) P-C4' energy: -103.990 flat angles C4'-P-C4' energy: -120.027 flat angles P-C4'-P energy: -93.887 tors. eta vs tors. theta energy: -167.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1869.682334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.682334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.682334 (E_RNA) where: Base-Base interactions energy: -1317.305 where: short stacking energy: -530.195 Base-Backbone interact. energy: -1.000 local terms energy: -551.376891 where: bonds (distance) C4'-P energy: -78.326 bonds (distance) P-C4' energy: -106.999 flat angles C4'-P-C4' energy: -130.613 flat angles P-C4'-P energy: -79.781 tors. eta vs tors. theta energy: -155.658 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: 6 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -781.169532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.169532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.169532 (E_RNA) where: Base-Base interactions energy: -404.601 where: short stacking energy: -212.494 Base-Backbone interact. energy: 8.692 local terms energy: -385.260580 where: bonds (distance) C4'-P energy: -103.287 bonds (distance) P-C4' energy: -113.926 flat angles C4'-P-C4' energy: -83.709 flat angles P-C4'-P energy: -78.844 tors. eta vs tors. theta energy: -5.495 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: 1, replica: 3 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2709.030189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.030189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.030189 (E_RNA) where: Base-Base interactions energy: -1913.515 where: short stacking energy: -780.987 Base-Backbone interact. energy: -1.687 local terms energy: -793.827871 where: bonds (distance) C4'-P energy: -131.198 bonds (distance) P-C4' energy: -147.780 flat angles C4'-P-C4' energy: -153.702 flat angles P-C4'-P energy: -120.050 tors. eta vs tors. theta energy: -241.098 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: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2662.989442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.989442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.989442 (E_RNA) where: Base-Base interactions energy: -1902.070 where: short stacking energy: -775.489 Base-Backbone interact. energy: -4.399 local terms energy: -756.520386 where: bonds (distance) C4'-P energy: -132.073 bonds (distance) P-C4' energy: -121.234 flat angles C4'-P-C4' energy: -165.347 flat angles P-C4'-P energy: -111.437 tors. eta vs tors. theta energy: -226.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2589.514339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.514339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.514339 (E_RNA) where: Base-Base interactions energy: -1840.314 where: short stacking energy: -749.600 Base-Backbone interact. energy: 8.535 local terms energy: -757.735662 where: bonds (distance) C4'-P energy: -122.180 bonds (distance) P-C4' energy: -140.352 flat angles C4'-P-C4' energy: -155.827 flat angles P-C4'-P energy: -103.934 tors. eta vs tors. theta energy: -235.443 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: 480 Temperature: 1.050000 Total energy: -2484.253529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.253529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.253529 (E_RNA) where: Base-Base interactions energy: -1761.892 where: short stacking energy: -699.752 Base-Backbone interact. energy: 0.194 local terms energy: -722.554782 where: bonds (distance) C4'-P energy: -125.303 bonds (distance) P-C4' energy: -125.235 flat angles C4'-P-C4' energy: -153.798 flat angles P-C4'-P energy: -97.302 tors. eta vs tors. theta energy: -220.916 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: 1 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2417.418904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.418904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.418904 (E_RNA) where: Base-Base interactions energy: -1708.391 where: short stacking energy: -714.252 Base-Backbone interact. energy: 1.609 local terms energy: -710.636650 where: bonds (distance) C4'-P energy: -130.655 bonds (distance) P-C4' energy: -129.595 flat angles C4'-P-C4' energy: -148.816 flat angles P-C4'-P energy: -87.762 tors. eta vs tors. theta energy: -213.808 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: 4 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2329.876566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.876566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.876566 (E_RNA) where: Base-Base interactions energy: -1680.559 where: short stacking energy: -683.131 Base-Backbone interact. energy: -0.392 local terms energy: -648.925668 where: bonds (distance) C4'-P energy: -127.121 bonds (distance) P-C4' energy: -96.847 flat angles C4'-P-C4' energy: -138.586 flat angles P-C4'-P energy: -80.736 tors. eta vs tors. theta energy: -205.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2120.526358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.526358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.526358 (E_RNA) where: Base-Base interactions energy: -1494.190 where: short stacking energy: -607.151 Base-Backbone interact. energy: -0.354 local terms energy: -625.982383 where: bonds (distance) C4'-P energy: -121.017 bonds (distance) P-C4' energy: -108.048 flat angles C4'-P-C4' energy: -137.455 flat angles P-C4'-P energy: -81.874 tors. eta vs tors. theta energy: -177.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -2044.883820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.883820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.883820 (E_RNA) where: Base-Base interactions energy: -1431.220 where: short stacking energy: -609.614 Base-Backbone interact. energy: -2.964 local terms energy: -610.700527 where: bonds (distance) C4'-P energy: -98.897 bonds (distance) P-C4' energy: -95.208 flat angles C4'-P-C4' energy: -136.916 flat angles P-C4'-P energy: -102.533 tors. eta vs tors. theta energy: -177.147 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: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1938.381918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.381918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.381918 (E_RNA) where: Base-Base interactions energy: -1360.034 where: short stacking energy: -548.158 Base-Backbone interact. energy: -0.019 local terms energy: -578.329695 where: bonds (distance) C4'-P energy: -100.389 bonds (distance) P-C4' energy: -105.000 flat angles C4'-P-C4' energy: -132.347 flat angles P-C4'-P energy: -80.315 tors. eta vs tors. theta energy: -160.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -779.276104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.276104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.276104 (E_RNA) where: Base-Base interactions energy: -410.623 where: short stacking energy: -214.611 Base-Backbone interact. energy: 5.222 local terms energy: -373.875773 where: bonds (distance) C4'-P energy: -100.232 bonds (distance) P-C4' energy: -113.785 flat angles C4'-P-C4' energy: -100.395 flat angles P-C4'-P energy: -59.854 tors. eta vs tors. theta energy: 0.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2685.392920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.392920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.392920 (E_RNA) where: Base-Base interactions energy: -1916.663 where: short stacking energy: -786.514 Base-Backbone interact. energy: -2.935 local terms energy: -765.794282 where: bonds (distance) C4'-P energy: -128.978 bonds (distance) P-C4' energy: -141.422 flat angles C4'-P-C4' energy: -160.325 flat angles P-C4'-P energy: -105.089 tors. eta vs tors. theta energy: -229.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2674.536114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.536114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.536114 (E_RNA) where: Base-Base interactions energy: -1907.134 where: short stacking energy: -771.222 Base-Backbone interact. energy: -0.618 local terms energy: -766.784215 where: bonds (distance) C4'-P energy: -116.950 bonds (distance) P-C4' energy: -137.345 flat angles C4'-P-C4' energy: -156.518 flat angles P-C4'-P energy: -122.600 tors. eta vs tors. theta energy: -233.372 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: 10 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2592.676364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.676364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.676364 (E_RNA) where: Base-Base interactions energy: -1852.677 where: short stacking energy: -756.570 Base-Backbone interact. energy: -0.351 local terms energy: -739.648209 where: bonds (distance) C4'-P energy: -118.089 bonds (distance) P-C4' energy: -129.146 flat angles C4'-P-C4' energy: -157.772 flat angles P-C4'-P energy: -105.500 tors. eta vs tors. theta energy: -229.142 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: 9 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2485.769916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.769916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.769916 (E_RNA) where: Base-Base interactions energy: -1770.973 where: short stacking energy: -714.599 Base-Backbone interact. energy: -0.484 local terms energy: -714.313231 where: bonds (distance) C4'-P energy: -125.947 bonds (distance) P-C4' energy: -113.206 flat angles C4'-P-C4' energy: -154.313 flat angles P-C4'-P energy: -96.427 tors. eta vs tors. theta energy: -224.421 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: 481 Temperature: 1.100000 Total energy: -2442.950534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.950534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.950534 (E_RNA) where: Base-Base interactions energy: -1729.772 where: short stacking energy: -708.450 Base-Backbone interact. energy: -2.975 local terms energy: -710.203635 where: bonds (distance) C4'-P energy: -131.679 bonds (distance) P-C4' energy: -126.342 flat angles C4'-P-C4' energy: -140.597 flat angles P-C4'-P energy: -96.914 tors. eta vs tors. theta energy: -214.671 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: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2298.120805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.120805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.120805 (E_RNA) where: Base-Base interactions energy: -1636.961 where: short stacking energy: -664.757 Base-Backbone interact. energy: -0.018 local terms energy: -661.141668 where: bonds (distance) C4'-P energy: -112.596 bonds (distance) P-C4' energy: -99.767 flat angles C4'-P-C4' energy: -137.322 flat angles P-C4'-P energy: -99.859 tors. eta vs tors. theta energy: -211.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -2138.127883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.127883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.127883 (E_RNA) where: Base-Base interactions energy: -1506.009 where: short stacking energy: -623.318 Base-Backbone interact. energy: 0.271 local terms energy: -632.390002 where: bonds (distance) C4'-P energy: -111.108 bonds (distance) P-C4' energy: -115.203 flat angles C4'-P-C4' energy: -131.489 flat angles P-C4'-P energy: -90.927 tors. eta vs tors. theta energy: -183.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -2029.190456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.190456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.190456 (E_RNA) where: Base-Base interactions energy: -1458.354 where: short stacking energy: -590.364 Base-Backbone interact. energy: -2.182 local terms energy: -568.654129 where: bonds (distance) C4'-P energy: -109.472 bonds (distance) P-C4' energy: -104.224 flat angles C4'-P-C4' energy: -122.809 flat angles P-C4'-P energy: -73.823 tors. eta vs tors. theta energy: -158.327 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: 9, replica: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1845.951513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.951513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.951513 (E_RNA) where: Base-Base interactions energy: -1312.022 where: short stacking energy: -529.640 Base-Backbone interact. energy: 1.724 local terms energy: -535.653975 where: bonds (distance) C4'-P energy: -92.910 bonds (distance) P-C4' energy: -117.755 flat angles C4'-P-C4' energy: -111.113 flat angles P-C4'-P energy: -77.711 tors. eta vs tors. theta energy: -136.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -791.297187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.297187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.297187 (E_RNA) where: Base-Base interactions energy: -403.504 where: short stacking energy: -216.853 Base-Backbone interact. energy: -3.125 local terms energy: -384.668741 where: bonds (distance) C4'-P energy: -116.660 bonds (distance) P-C4' energy: -103.988 flat angles C4'-P-C4' energy: -98.098 flat angles P-C4'-P energy: -62.317 tors. eta vs tors. theta energy: -3.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2700.511522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.511522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.511522 (E_RNA) where: Base-Base interactions energy: -1930.319 where: short stacking energy: -780.344 Base-Backbone interact. energy: -0.040 local terms energy: -770.151947 where: bonds (distance) C4'-P energy: -133.779 bonds (distance) P-C4' energy: -138.641 flat angles C4'-P-C4' energy: -154.973 flat angles P-C4'-P energy: -110.673 tors. eta vs tors. theta energy: -232.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2640.735985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.735985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.735985 (E_RNA) where: Base-Base interactions energy: -1884.354 where: short stacking energy: -757.439 Base-Backbone interact. energy: 6.117 local terms energy: -762.499191 where: bonds (distance) C4'-P energy: -128.444 bonds (distance) P-C4' energy: -137.033 flat angles C4'-P-C4' energy: -169.212 flat angles P-C4'-P energy: -101.017 tors. eta vs tors. theta energy: -226.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2612.348980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.348980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.348980 (E_RNA) where: Base-Base interactions energy: -1864.140 where: short stacking energy: -776.365 Base-Backbone interact. energy: -2.393 local terms energy: -745.815855 where: bonds (distance) C4'-P energy: -127.529 bonds (distance) P-C4' energy: -149.102 flat angles C4'-P-C4' energy: -139.837 flat angles P-C4'-P energy: -96.701 tors. eta vs tors. theta energy: -232.646 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: 9 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2455.265965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.265965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.265965 (E_RNA) where: Base-Base interactions energy: -1759.417 where: short stacking energy: -723.138 Base-Backbone interact. energy: -0.301 local terms energy: -695.548208 where: bonds (distance) C4'-P energy: -122.555 bonds (distance) P-C4' energy: -112.355 flat angles C4'-P-C4' energy: -143.962 flat angles P-C4'-P energy: -102.117 tors. eta vs tors. theta energy: -214.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2408.348025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.348025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.348025 (E_RNA) where: Base-Base interactions energy: -1687.422 where: short stacking energy: -683.147 Base-Backbone interact. energy: -2.126 local terms energy: -718.799985 where: bonds (distance) C4'-P energy: -142.899 bonds (distance) P-C4' energy: -132.286 flat angles C4'-P-C4' energy: -140.898 flat angles P-C4'-P energy: -94.165 tors. eta vs tors. theta energy: -208.552 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: 6, replica: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2296.039978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.039978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.039978 (E_RNA) where: Base-Base interactions energy: -1648.481 where: short stacking energy: -663.084 Base-Backbone interact. energy: -0.858 local terms energy: -646.701604 where: bonds (distance) C4'-P energy: -105.170 bonds (distance) P-C4' energy: -113.689 flat angles C4'-P-C4' energy: -145.513 flat angles P-C4'-P energy: -90.806 tors. eta vs tors. theta energy: -191.523 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: 7 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -2119.240699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.240699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.240699 (E_RNA) where: Base-Base interactions energy: -1511.558 where: short stacking energy: -617.940 Base-Backbone interact. energy: 3.205 local terms energy: -610.888212 where: bonds (distance) C4'-P energy: -113.491 bonds (distance) P-C4' energy: -120.356 flat angles C4'-P-C4' energy: -117.935 flat angles P-C4'-P energy: -85.696 tors. eta vs tors. theta energy: -173.409 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: 2 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -2003.359393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.359393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.359393 (E_RNA) where: Base-Base interactions energy: -1407.466 where: short stacking energy: -594.490 Base-Backbone interact. energy: -2.318 local terms energy: -593.575797 where: bonds (distance) C4'-P energy: -107.140 bonds (distance) P-C4' energy: -110.349 flat angles C4'-P-C4' energy: -124.521 flat angles P-C4'-P energy: -80.712 tors. eta vs tors. theta energy: -170.852 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: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1875.599377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.599377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.599377 (E_RNA) where: Base-Base interactions energy: -1299.072 where: short stacking energy: -534.039 Base-Backbone interact. energy: 0.791 local terms energy: -577.318025 where: bonds (distance) C4'-P energy: -104.093 bonds (distance) P-C4' energy: -102.155 flat angles C4'-P-C4' energy: -127.322 flat angles P-C4'-P energy: -90.271 tors. eta vs tors. theta energy: -153.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -759.515215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.515215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.515215 (E_RNA) where: Base-Base interactions energy: -412.221 where: short stacking energy: -242.203 Base-Backbone interact. energy: 3.600 local terms energy: -350.894427 where: bonds (distance) C4'-P energy: -101.506 bonds (distance) P-C4' energy: -118.650 flat angles C4'-P-C4' energy: -88.316 flat angles P-C4'-P energy: -37.544 tors. eta vs tors. theta energy: -4.879 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: 3 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2722.855065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.855065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.855065 (E_RNA) where: Base-Base interactions energy: -1925.733 where: short stacking energy: -797.668 Base-Backbone interact. energy: -2.517 local terms energy: -794.605118 where: bonds (distance) C4'-P energy: -128.708 bonds (distance) P-C4' energy: -143.633 flat angles C4'-P-C4' energy: -167.685 flat angles P-C4'-P energy: -108.320 tors. eta vs tors. theta energy: -246.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2661.104332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.104332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.104332 (E_RNA) where: Base-Base interactions energy: -1893.994 where: short stacking energy: -740.668 Base-Backbone interact. energy: -1.234 local terms energy: -765.876417 where: bonds (distance) C4'-P energy: -129.985 bonds (distance) P-C4' energy: -139.652 flat angles C4'-P-C4' energy: -164.008 flat angles P-C4'-P energy: -109.980 tors. eta vs tors. theta energy: -222.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2585.371247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.371247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.371247 (E_RNA) where: Base-Base interactions energy: -1841.797 where: short stacking energy: -750.991 Base-Backbone interact. energy: -0.844 local terms energy: -742.730871 where: bonds (distance) C4'-P energy: -122.563 bonds (distance) P-C4' energy: -129.669 flat angles C4'-P-C4' energy: -148.128 flat angles P-C4'-P energy: -110.670 tors. eta vs tors. theta energy: -231.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2512.168423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.168423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.168423 (E_RNA) where: Base-Base interactions energy: -1777.377 where: short stacking energy: -738.394 Base-Backbone interact. energy: -2.636 local terms energy: -732.154953 where: bonds (distance) C4'-P energy: -132.988 bonds (distance) P-C4' energy: -135.846 flat angles C4'-P-C4' energy: -142.195 flat angles P-C4'-P energy: -91.995 tors. eta vs tors. theta energy: -229.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2409.536004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.536004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.536004 (E_RNA) where: Base-Base interactions energy: -1714.283 where: short stacking energy: -662.823 Base-Backbone interact. energy: -1.131 local terms energy: -694.122427 where: bonds (distance) C4'-P energy: -109.564 bonds (distance) P-C4' energy: -120.969 flat angles C4'-P-C4' energy: -142.362 flat angles P-C4'-P energy: -104.426 tors. eta vs tors. theta energy: -216.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2255.303777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.303777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.303777 (E_RNA) where: Base-Base interactions energy: -1585.765 where: short stacking energy: -637.525 Base-Backbone interact. energy: -2.122 local terms energy: -667.416657 where: bonds (distance) C4'-P energy: -111.138 bonds (distance) P-C4' energy: -119.066 flat angles C4'-P-C4' energy: -152.050 flat angles P-C4'-P energy: -92.447 tors. eta vs tors. theta energy: -192.715 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: 483 Temperature: 1.200000 Total energy: -2164.944767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.944767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.944767 (E_RNA) where: Base-Base interactions energy: -1525.841 where: short stacking energy: -610.535 Base-Backbone interact. energy: 1.465 local terms energy: -640.568731 where: bonds (distance) C4'-P energy: -117.011 bonds (distance) P-C4' energy: -113.101 flat angles C4'-P-C4' energy: -140.152 flat angles P-C4'-P energy: -96.071 tors. eta vs tors. theta energy: -174.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -2033.942775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.942775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.942775 (E_RNA) where: Base-Base interactions energy: -1444.779 where: short stacking energy: -560.813 Base-Backbone interact. energy: -0.203 local terms energy: -588.960111 where: bonds (distance) C4'-P energy: -106.723 bonds (distance) P-C4' energy: -101.166 flat angles C4'-P-C4' energy: -132.343 flat angles P-C4'-P energy: -81.870 tors. eta vs tors. theta energy: -166.858 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: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1766.148216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.148216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.148216 (E_RNA) where: Base-Base interactions energy: -1218.091 where: short stacking energy: -509.158 Base-Backbone interact. energy: -1.849 local terms energy: -546.207916 where: bonds (distance) C4'-P energy: -90.959 bonds (distance) P-C4' energy: -110.930 flat angles C4'-P-C4' energy: -122.381 flat angles P-C4'-P energy: -90.688 tors. eta vs tors. theta energy: -131.251 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: 6 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -724.617905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.617905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.617905 (E_RNA) where: Base-Base interactions energy: -374.162 where: short stacking energy: -207.238 Base-Backbone interact. energy: 4.773 local terms energy: -355.229218 where: bonds (distance) C4'-P energy: -108.293 bonds (distance) P-C4' energy: -107.818 flat angles C4'-P-C4' energy: -93.272 flat angles P-C4'-P energy: -52.625 tors. eta vs tors. theta energy: 6.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2728.585229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.585229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.585229 (E_RNA) where: Base-Base interactions energy: -1956.437 where: short stacking energy: -783.133 Base-Backbone interact. energy: -3.480 local terms energy: -768.668140 where: bonds (distance) C4'-P energy: -132.771 bonds (distance) P-C4' energy: -138.850 flat angles C4'-P-C4' energy: -165.525 flat angles P-C4'-P energy: -99.905 tors. eta vs tors. theta energy: -231.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2693.878566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.878566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.878566 (E_RNA) where: Base-Base interactions energy: -1920.577 where: short stacking energy: -772.654 Base-Backbone interact. energy: -1.913 local terms energy: -771.388209 where: bonds (distance) C4'-P energy: -136.020 bonds (distance) P-C4' energy: -128.862 flat angles C4'-P-C4' energy: -160.297 flat angles P-C4'-P energy: -112.656 tors. eta vs tors. theta energy: -233.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2580.728402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.728402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.728402 (E_RNA) where: Base-Base interactions energy: -1841.036 where: short stacking energy: -763.370 Base-Backbone interact. energy: -4.256 local terms energy: -735.436266 where: bonds (distance) C4'-P energy: -114.185 bonds (distance) P-C4' energy: -137.757 flat angles C4'-P-C4' energy: -153.495 flat angles P-C4'-P energy: -97.291 tors. eta vs tors. theta energy: -232.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2502.019187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.019187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.019187 (E_RNA) where: Base-Base interactions energy: -1759.659 where: short stacking energy: -713.550 Base-Backbone interact. energy: -1.897 local terms energy: -740.463130 where: bonds (distance) C4'-P energy: -138.969 bonds (distance) P-C4' energy: -133.533 flat angles C4'-P-C4' energy: -145.623 flat angles P-C4'-P energy: -99.117 tors. eta vs tors. theta energy: -223.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2404.378535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.378535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.378535 (E_RNA) where: Base-Base interactions energy: -1703.388 where: short stacking energy: -688.316 Base-Backbone interact. energy: 0.901 local terms energy: -701.891287 where: bonds (distance) C4'-P energy: -132.850 bonds (distance) P-C4' energy: -126.496 flat angles C4'-P-C4' energy: -145.915 flat angles P-C4'-P energy: -79.321 tors. eta vs tors. theta energy: -217.309 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: 6, replica: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2256.227149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.227149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.227149 (E_RNA) where: Base-Base interactions energy: -1605.931 where: short stacking energy: -655.607 Base-Backbone interact. energy: -3.325 local terms energy: -646.971697 where: bonds (distance) C4'-P energy: -119.276 bonds (distance) P-C4' energy: -97.580 flat angles C4'-P-C4' energy: -133.075 flat angles P-C4'-P energy: -105.220 tors. eta vs tors. theta energy: -191.820 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: 7, replica: 2 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -2110.409715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.409715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.409715 (E_RNA) where: Base-Base interactions energy: -1493.660 where: short stacking energy: -606.046 Base-Backbone interact. energy: -2.249 local terms energy: -614.500461 where: bonds (distance) C4'-P energy: -129.116 bonds (distance) P-C4' energy: -109.469 flat angles C4'-P-C4' energy: -126.612 flat angles P-C4'-P energy: -81.269 tors. eta vs tors. theta energy: -168.034 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: 7 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -2089.427574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.427574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.427574 (E_RNA) where: Base-Base interactions energy: -1466.669 where: short stacking energy: -598.090 Base-Backbone interact. energy: -0.381 local terms energy: -622.376773 where: bonds (distance) C4'-P energy: -119.940 bonds (distance) P-C4' energy: -118.372 flat angles C4'-P-C4' energy: -126.995 flat angles P-C4'-P energy: -74.240 tors. eta vs tors. theta energy: -182.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1818.353418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.353418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.353418 (E_RNA) where: Base-Base interactions energy: -1276.088 where: short stacking energy: -521.347 Base-Backbone interact. energy: 2.221 local terms energy: -544.487044 where: bonds (distance) C4'-P energy: -94.493 bonds (distance) P-C4' energy: -115.584 flat angles C4'-P-C4' energy: -130.442 flat angles P-C4'-P energy: -72.721 tors. eta vs tors. theta energy: -131.246 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: 6 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -714.654776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.654776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.654776 (E_RNA) where: Base-Base interactions energy: -339.568 where: short stacking energy: -193.187 Base-Backbone interact. energy: 0.727 local terms energy: -375.813409 where: bonds (distance) C4'-P energy: -120.696 bonds (distance) P-C4' energy: -116.039 flat angles C4'-P-C4' energy: -107.142 flat angles P-C4'-P energy: -42.144 tors. eta vs tors. theta energy: 10.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2715.434301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.434301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.434301 (E_RNA) where: Base-Base interactions energy: -1948.056 where: short stacking energy: -759.393 Base-Backbone interact. energy: -2.892 local terms energy: -764.486713 where: bonds (distance) C4'-P energy: -129.289 bonds (distance) P-C4' energy: -139.795 flat angles C4'-P-C4' energy: -156.587 flat angles P-C4'-P energy: -118.084 tors. eta vs tors. theta energy: -220.731 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: 3 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2683.582276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.582276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.582276 (E_RNA) where: Base-Base interactions energy: -1916.775 where: short stacking energy: -774.420 Base-Backbone interact. energy: -2.455 local terms energy: -764.352067 where: bonds (distance) C4'-P energy: -125.565 bonds (distance) P-C4' energy: -123.780 flat angles C4'-P-C4' energy: -155.374 flat angles P-C4'-P energy: -114.123 tors. eta vs tors. theta energy: -245.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2595.737224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.737224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.737224 (E_RNA) where: Base-Base interactions energy: -1858.907 where: short stacking energy: -756.984 Base-Backbone interact. energy: -1.385 local terms energy: -735.444783 where: bonds (distance) C4'-P energy: -114.546 bonds (distance) P-C4' energy: -131.041 flat angles C4'-P-C4' energy: -143.469 flat angles P-C4'-P energy: -113.853 tors. eta vs tors. theta energy: -232.535 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: 9 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2494.996631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.996631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.996631 (E_RNA) where: Base-Base interactions energy: -1754.957 where: short stacking energy: -734.648 Base-Backbone interact. energy: -1.707 local terms energy: -738.332889 where: bonds (distance) C4'-P energy: -127.380 bonds (distance) P-C4' energy: -123.733 flat angles C4'-P-C4' energy: -150.357 flat angles P-C4'-P energy: -100.364 tors. eta vs tors. theta energy: -236.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2421.057643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.057643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.057643 (E_RNA) where: Base-Base interactions energy: -1734.225 where: short stacking energy: -700.370 Base-Backbone interact. energy: -2.172 local terms energy: -684.661292 where: bonds (distance) C4'-P energy: -116.680 bonds (distance) P-C4' energy: -112.227 flat angles C4'-P-C4' energy: -138.714 flat angles P-C4'-P energy: -99.969 tors. eta vs tors. theta energy: -217.072 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: 485 Temperature: 1.150000 Total energy: -2251.526457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.526457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.526457 (E_RNA) where: Base-Base interactions energy: -1574.351 where: short stacking energy: -662.109 Base-Backbone interact. energy: -2.759 local terms energy: -674.415946 where: bonds (distance) C4'-P energy: -114.754 bonds (distance) P-C4' energy: -129.697 flat angles C4'-P-C4' energy: -143.381 flat angles P-C4'-P energy: -88.406 tors. eta vs tors. theta energy: -198.179 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: 2 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -2086.389628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.389628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.389628 (E_RNA) where: Base-Base interactions energy: -1444.272 where: short stacking energy: -600.064 Base-Backbone interact. energy: -2.743 local terms energy: -639.374543 where: bonds (distance) C4'-P energy: -115.755 bonds (distance) P-C4' energy: -111.704 flat angles C4'-P-C4' energy: -127.761 flat angles P-C4'-P energy: -112.026 tors. eta vs tors. theta energy: -172.130 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: 7 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -2133.372032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.372032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.372032 (E_RNA) where: Base-Base interactions energy: -1519.049 where: short stacking energy: -614.778 Base-Backbone interact. energy: -0.170 local terms energy: -614.152967 where: bonds (distance) C4'-P energy: -103.459 bonds (distance) P-C4' energy: -101.467 flat angles C4'-P-C4' energy: -134.199 flat angles P-C4'-P energy: -91.510 tors. eta vs tors. theta energy: -183.519 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: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1828.295705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.295705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.295705 (E_RNA) where: Base-Base interactions energy: -1261.210 where: short stacking energy: -537.172 Base-Backbone interact. energy: 2.201 local terms energy: -569.286797 where: bonds (distance) C4'-P energy: -95.588 bonds (distance) P-C4' energy: -123.960 flat angles C4'-P-C4' energy: -128.420 flat angles P-C4'-P energy: -76.329 tors. eta vs tors. theta energy: -144.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -745.663201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.663201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.663201 (E_RNA) where: Base-Base interactions energy: -362.390 where: short stacking energy: -202.870 Base-Backbone interact. energy: -0.847 local terms energy: -382.426084 where: bonds (distance) C4'-P energy: -94.885 bonds (distance) P-C4' energy: -105.791 flat angles C4'-P-C4' energy: -112.636 flat angles P-C4'-P energy: -53.756 tors. eta vs tors. theta energy: -15.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2718.788861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.788861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.788861 (E_RNA) where: Base-Base interactions energy: -1944.880 where: short stacking energy: -788.771 Base-Backbone interact. energy: -2.459 local terms energy: -771.449073 where: bonds (distance) C4'-P energy: -137.536 bonds (distance) P-C4' energy: -131.517 flat angles C4'-P-C4' energy: -149.727 flat angles P-C4'-P energy: -109.658 tors. eta vs tors. theta energy: -243.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2676.598126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.598126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.598126 (E_RNA) where: Base-Base interactions energy: -1925.478 where: short stacking energy: -776.710 Base-Backbone interact. energy: -1.669 local terms energy: -749.451499 where: bonds (distance) C4'-P energy: -131.406 bonds (distance) P-C4' energy: -133.112 flat angles C4'-P-C4' energy: -157.312 flat angles P-C4'-P energy: -101.444 tors. eta vs tors. theta energy: -226.178 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: 10 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2555.008212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.008212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.008212 (E_RNA) where: Base-Base interactions energy: -1795.843 where: short stacking energy: -726.607 Base-Backbone interact. energy: -2.981 local terms energy: -756.184115 where: bonds (distance) C4'-P energy: -123.389 bonds (distance) P-C4' energy: -144.392 flat angles C4'-P-C4' energy: -150.754 flat angles P-C4'-P energy: -103.329 tors. eta vs tors. theta energy: -234.320 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: 9 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2507.978250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.978250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.978250 (E_RNA) where: Base-Base interactions energy: -1784.978 where: short stacking energy: -694.317 Base-Backbone interact. energy: -0.075 local terms energy: -722.925855 where: bonds (distance) C4'-P energy: -112.622 bonds (distance) P-C4' energy: -126.026 flat angles C4'-P-C4' energy: -159.972 flat angles P-C4'-P energy: -99.816 tors. eta vs tors. theta energy: -224.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2365.862123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.862123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.862123 (E_RNA) where: Base-Base interactions energy: -1697.172 where: short stacking energy: -698.075 Base-Backbone interact. energy: -2.313 local terms energy: -666.377356 where: bonds (distance) C4'-P energy: -100.901 bonds (distance) P-C4' energy: -112.177 flat angles C4'-P-C4' energy: -144.534 flat angles P-C4'-P energy: -96.384 tors. eta vs tors. theta energy: -212.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2264.231178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.231178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.231178 (E_RNA) where: Base-Base interactions energy: -1626.702 where: short stacking energy: -677.662 Base-Backbone interact. energy: 0.195 local terms energy: -637.723747 where: bonds (distance) C4'-P energy: -115.921 bonds (distance) P-C4' energy: -91.932 flat angles C4'-P-C4' energy: -136.891 flat angles P-C4'-P energy: -95.653 tors. eta vs tors. theta energy: -197.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -2146.244927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.244927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.244927 (E_RNA) where: Base-Base interactions energy: -1519.109 where: short stacking energy: -606.643 Base-Backbone interact. energy: 1.096 local terms energy: -628.232422 where: bonds (distance) C4'-P energy: -120.053 bonds (distance) P-C4' energy: -120.589 flat angles C4'-P-C4' energy: -125.478 flat angles P-C4'-P energy: -94.107 tors. eta vs tors. theta energy: -168.006 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: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -2021.664405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.664405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.664405 (E_RNA) where: Base-Base interactions energy: -1409.851 where: short stacking energy: -562.079 Base-Backbone interact. energy: 2.504 local terms energy: -614.317236 where: bonds (distance) C4'-P energy: -115.925 bonds (distance) P-C4' energy: -120.609 flat angles C4'-P-C4' energy: -132.439 flat angles P-C4'-P energy: -79.988 tors. eta vs tors. theta energy: -165.357 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: 9, replica: 5 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1749.941370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.941370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.941370 (E_RNA) where: Base-Base interactions energy: -1202.853 where: short stacking energy: -475.177 Base-Backbone interact. energy: 2.596 local terms energy: -549.684625 where: bonds (distance) C4'-P energy: -97.654 bonds (distance) P-C4' energy: -124.886 flat angles C4'-P-C4' energy: -116.893 flat angles P-C4'-P energy: -75.434 tors. eta vs tors. theta energy: -134.818 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: 10, replica: 6 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -800.261369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.261369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.261369 (E_RNA) where: Base-Base interactions energy: -424.345 where: short stacking energy: -225.134 Base-Backbone interact. energy: -0.625 local terms energy: -375.291343 where: bonds (distance) C4'-P energy: -106.733 bonds (distance) P-C4' energy: -104.949 flat angles C4'-P-C4' energy: -98.376 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -16.848 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: 3 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2714.267746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.267746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.267746 (E_RNA) where: Base-Base interactions energy: -1918.886 where: short stacking energy: -789.235 Base-Backbone interact. energy: -2.242 local terms energy: -793.139617 where: bonds (distance) C4'-P energy: -126.603 bonds (distance) P-C4' energy: -141.950 flat angles C4'-P-C4' energy: -171.131 flat angles P-C4'-P energy: -105.193 tors. eta vs tors. theta energy: -248.263 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: 8 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2652.192079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.192079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.192079 (E_RNA) where: Base-Base interactions energy: -1947.950 where: short stacking energy: -749.029 Base-Backbone interact. energy: -4.033 local terms energy: -700.208980 where: bonds (distance) C4'-P energy: -105.931 bonds (distance) P-C4' energy: -111.471 flat angles C4'-P-C4' energy: -159.139 flat angles P-C4'-P energy: -100.914 tors. eta vs tors. theta energy: -222.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2559.235743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.235743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.235743 (E_RNA) where: Base-Base interactions energy: -1851.892 where: short stacking energy: -759.378 Base-Backbone interact. energy: -0.793 local terms energy: -706.550673 where: bonds (distance) C4'-P energy: -108.022 bonds (distance) P-C4' energy: -110.875 flat angles C4'-P-C4' energy: -153.241 flat angles P-C4'-P energy: -108.467 tors. eta vs tors. theta energy: -225.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2514.081525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.081525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.081525 (E_RNA) where: Base-Base interactions energy: -1789.432 where: short stacking energy: -727.948 Base-Backbone interact. energy: -2.394 local terms energy: -722.255370 where: bonds (distance) C4'-P energy: -123.101 bonds (distance) P-C4' energy: -126.129 flat angles C4'-P-C4' energy: -154.303 flat angles P-C4'-P energy: -90.599 tors. eta vs tors. theta energy: -228.124 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: 5, replica: 1 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2390.271222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.271222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.271222 (E_RNA) where: Base-Base interactions energy: -1705.590 where: short stacking energy: -681.140 Base-Backbone interact. energy: 1.145 local terms energy: -685.826038 where: bonds (distance) C4'-P energy: -105.806 bonds (distance) P-C4' energy: -122.527 flat angles C4'-P-C4' energy: -144.133 flat angles P-C4'-P energy: -98.581 tors. eta vs tors. theta energy: -214.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2254.044775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.044775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.044775 (E_RNA) where: Base-Base interactions energy: -1625.765 where: short stacking energy: -642.242 Base-Backbone interact. energy: -1.544 local terms energy: -626.735246 where: bonds (distance) C4'-P energy: -80.754 bonds (distance) P-C4' energy: -115.511 flat angles C4'-P-C4' energy: -142.009 flat angles P-C4'-P energy: -94.105 tors. eta vs tors. theta energy: -194.356 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: 7 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -2169.098162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.098162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.098162 (E_RNA) where: Base-Base interactions energy: -1552.680 where: short stacking energy: -646.346 Base-Backbone interact. energy: -0.784 local terms energy: -615.634597 where: bonds (distance) C4'-P energy: -105.663 bonds (distance) P-C4' energy: -105.341 flat angles C4'-P-C4' energy: -142.826 flat angles P-C4'-P energy: -73.578 tors. eta vs tors. theta energy: -188.228 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: 2 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -2037.445837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.445837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.445837 (E_RNA) where: Base-Base interactions energy: -1473.929 where: short stacking energy: -591.875 Base-Backbone interact. energy: -1.263 local terms energy: -562.253328 where: bonds (distance) C4'-P energy: -66.535 bonds (distance) P-C4' energy: -108.196 flat angles C4'-P-C4' energy: -121.792 flat angles P-C4'-P energy: -83.262 tors. eta vs tors. theta energy: -182.468 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: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1784.614379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.614379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.614379 (E_RNA) where: Base-Base interactions energy: -1211.479 where: short stacking energy: -535.820 Base-Backbone interact. energy: 0.036 local terms energy: -573.171317 where: bonds (distance) C4'-P energy: -116.948 bonds (distance) P-C4' energy: -112.489 flat angles C4'-P-C4' energy: -123.796 flat angles P-C4'-P energy: -74.365 tors. eta vs tors. theta energy: -145.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -885.249470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.249470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.249470 (E_RNA) where: Base-Base interactions energy: -496.897 where: short stacking energy: -229.452 Base-Backbone interact. energy: 6.538 local terms energy: -394.889883 where: bonds (distance) C4'-P energy: -87.817 bonds (distance) P-C4' energy: -121.225 flat angles C4'-P-C4' energy: -96.040 flat angles P-C4'-P energy: -81.755 tors. eta vs tors. theta energy: -8.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2727.037679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.037679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.037679 (E_RNA) where: Base-Base interactions energy: -1951.341 where: short stacking energy: -801.512 Base-Backbone interact. energy: -0.345 local terms energy: -775.352154 where: bonds (distance) C4'-P energy: -127.630 bonds (distance) P-C4' energy: -131.154 flat angles C4'-P-C4' energy: -160.533 flat angles P-C4'-P energy: -110.173 tors. eta vs tors. theta energy: -245.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2660.990967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.990967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.990967 (E_RNA) where: Base-Base interactions energy: -1918.025 where: short stacking energy: -764.486 Base-Backbone interact. energy: -2.799 local terms energy: -740.167363 where: bonds (distance) C4'-P energy: -133.989 bonds (distance) P-C4' energy: -119.760 flat angles C4'-P-C4' energy: -157.918 flat angles P-C4'-P energy: -106.611 tors. eta vs tors. theta energy: -221.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2572.770498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.770498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.770498 (E_RNA) where: Base-Base interactions energy: -1858.165 where: short stacking energy: -746.510 Base-Backbone interact. energy: 0.593 local terms energy: -715.199188 where: bonds (distance) C4'-P energy: -123.134 bonds (distance) P-C4' energy: -115.132 flat angles C4'-P-C4' energy: -148.427 flat angles P-C4'-P energy: -102.121 tors. eta vs tors. theta energy: -226.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2522.734211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.734211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.734211 (E_RNA) where: Base-Base interactions energy: -1774.667 where: short stacking energy: -721.389 Base-Backbone interact. energy: 0.542 local terms energy: -748.609535 where: bonds (distance) C4'-P energy: -127.726 bonds (distance) P-C4' energy: -125.428 flat angles C4'-P-C4' energy: -166.405 flat angles P-C4'-P energy: -103.295 tors. eta vs tors. theta energy: -225.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2399.783147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.783147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.783147 (E_RNA) where: Base-Base interactions energy: -1720.990 where: short stacking energy: -700.968 Base-Backbone interact. energy: 2.266 local terms energy: -681.059053 where: bonds (distance) C4'-P energy: -107.747 bonds (distance) P-C4' energy: -95.271 flat angles C4'-P-C4' energy: -153.817 flat angles P-C4'-P energy: -103.930 tors. eta vs tors. theta energy: -220.294 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: 4 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2291.478731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.478731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.478731 (E_RNA) where: Base-Base interactions energy: -1603.204 where: short stacking energy: -652.690 Base-Backbone interact. energy: -0.827 local terms energy: -687.447116 where: bonds (distance) C4'-P energy: -102.942 bonds (distance) P-C4' energy: -125.717 flat angles C4'-P-C4' energy: -149.453 flat angles P-C4'-P energy: -106.866 tors. eta vs tors. theta energy: -202.469 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: 7 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -2209.885173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.885173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.885173 (E_RNA) where: Base-Base interactions energy: -1563.741 where: short stacking energy: -627.909 Base-Backbone interact. energy: -1.090 local terms energy: -645.053590 where: bonds (distance) C4'-P energy: -103.741 bonds (distance) P-C4' energy: -127.243 flat angles C4'-P-C4' energy: -130.824 flat angles P-C4'-P energy: -86.826 tors. eta vs tors. theta energy: -196.420 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: 2 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -2017.954458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.954458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.954458 (E_RNA) where: Base-Base interactions energy: -1412.599 where: short stacking energy: -559.116 Base-Backbone interact. energy: -2.304 local terms energy: -603.051180 where: bonds (distance) C4'-P energy: -104.242 bonds (distance) P-C4' energy: -104.859 flat angles C4'-P-C4' energy: -133.882 flat angles P-C4'-P energy: -96.897 tors. eta vs tors. theta energy: -163.171 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: 5 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1802.010613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.010613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.010613 (E_RNA) where: Base-Base interactions energy: -1304.908 where: short stacking energy: -545.579 Base-Backbone interact. energy: -0.841 local terms energy: -496.261622 where: bonds (distance) C4'-P energy: -89.254 bonds (distance) P-C4' energy: -92.899 flat angles C4'-P-C4' energy: -112.215 flat angles P-C4'-P energy: -65.469 tors. eta vs tors. theta energy: -136.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -975.139904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.139904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.139904 (E_RNA) where: Base-Base interactions energy: -573.820 where: short stacking energy: -286.792 Base-Backbone interact. energy: 5.390 local terms energy: -406.709868 where: bonds (distance) C4'-P energy: -107.669 bonds (distance) P-C4' energy: -125.772 flat angles C4'-P-C4' energy: -97.498 flat angles P-C4'-P energy: -45.509 tors. eta vs tors. theta energy: -30.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2731.106205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.106205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.106205 (E_RNA) where: Base-Base interactions energy: -1934.850 where: short stacking energy: -796.094 Base-Backbone interact. energy: -2.839 local terms energy: -793.417621 where: bonds (distance) C4'-P energy: -150.816 bonds (distance) P-C4' energy: -118.626 flat angles C4'-P-C4' energy: -165.116 flat angles P-C4'-P energy: -116.213 tors. eta vs tors. theta energy: -242.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2655.096714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.096714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.096714 (E_RNA) where: Base-Base interactions energy: -1898.677 where: short stacking energy: -779.238 Base-Backbone interact. energy: -0.294 local terms energy: -756.125107 where: bonds (distance) C4'-P energy: -119.201 bonds (distance) P-C4' energy: -125.657 flat angles C4'-P-C4' energy: -170.104 flat angles P-C4'-P energy: -104.821 tors. eta vs tors. theta energy: -236.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2593.062296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.062296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.062296 (E_RNA) where: Base-Base interactions energy: -1872.221 where: short stacking energy: -755.217 Base-Backbone interact. energy: -1.081 local terms energy: -719.760314 where: bonds (distance) C4'-P energy: -129.784 bonds (distance) P-C4' energy: -111.451 flat angles C4'-P-C4' energy: -155.396 flat angles P-C4'-P energy: -103.950 tors. eta vs tors. theta energy: -219.178 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: 489 Temperature: 1.050000 Total energy: -2494.120231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.120231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.120231 (E_RNA) where: Base-Base interactions energy: -1764.089 where: short stacking energy: -700.263 Base-Backbone interact. energy: -2.567 local terms energy: -727.464025 where: bonds (distance) C4'-P energy: -139.410 bonds (distance) P-C4' energy: -135.903 flat angles C4'-P-C4' energy: -150.743 flat angles P-C4'-P energy: -88.109 tors. eta vs tors. theta energy: -213.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2370.692510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.692510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.692510 (E_RNA) where: Base-Base interactions energy: -1671.648 where: short stacking energy: -658.903 Base-Backbone interact. energy: -1.875 local terms energy: -697.169607 where: bonds (distance) C4'-P energy: -134.106 bonds (distance) P-C4' energy: -118.698 flat angles C4'-P-C4' energy: -149.970 flat angles P-C4'-P energy: -83.839 tors. eta vs tors. theta energy: -210.557 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: 6, replica: 4 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2278.129497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.129497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.129497 (E_RNA) where: Base-Base interactions energy: -1624.301 where: short stacking energy: -647.311 Base-Backbone interact. energy: 1.000 local terms energy: -654.827948 where: bonds (distance) C4'-P energy: -111.247 bonds (distance) P-C4' energy: -117.322 flat angles C4'-P-C4' energy: -140.451 flat angles P-C4'-P energy: -90.966 tors. eta vs tors. theta energy: -194.842 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: 7 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -2224.194862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.194862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.194862 (E_RNA) where: Base-Base interactions energy: -1556.736 where: short stacking energy: -639.987 Base-Backbone interact. energy: -1.253 local terms energy: -666.206241 where: bonds (distance) C4'-P energy: -116.146 bonds (distance) P-C4' energy: -97.225 flat angles C4'-P-C4' energy: -149.905 flat angles P-C4'-P energy: -101.446 tors. eta vs tors. theta energy: -201.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -2131.005019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.005019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.005019 (E_RNA) where: Base-Base interactions energy: -1486.682 where: short stacking energy: -615.940 Base-Backbone interact. energy: -0.812 local terms energy: -643.510955 where: bonds (distance) C4'-P energy: -116.627 bonds (distance) P-C4' energy: -119.907 flat angles C4'-P-C4' energy: -148.973 flat angles P-C4'-P energy: -78.623 tors. eta vs tors. theta energy: -179.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1818.202955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.202955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.202955 (E_RNA) where: Base-Base interactions energy: -1275.066 where: short stacking energy: -512.283 Base-Backbone interact. energy: 0.483 local terms energy: -543.620112 where: bonds (distance) C4'-P energy: -98.826 bonds (distance) P-C4' energy: -110.131 flat angles C4'-P-C4' energy: -119.674 flat angles P-C4'-P energy: -77.161 tors. eta vs tors. theta energy: -137.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -941.401009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.401009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.401009 (E_RNA) where: Base-Base interactions energy: -545.922 where: short stacking energy: -276.937 Base-Backbone interact. energy: -4.095 local terms energy: -391.383516 where: bonds (distance) C4'-P energy: -108.359 bonds (distance) P-C4' energy: -106.466 flat angles C4'-P-C4' energy: -106.669 flat angles P-C4'-P energy: -50.694 tors. eta vs tors. theta energy: -19.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2712.627313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.627313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.627313 (E_RNA) where: Base-Base interactions energy: -1930.285 where: short stacking energy: -798.741 Base-Backbone interact. energy: -1.433 local terms energy: -780.909455 where: bonds (distance) C4'-P energy: -118.980 bonds (distance) P-C4' energy: -141.885 flat angles C4'-P-C4' energy: -156.735 flat angles P-C4'-P energy: -118.308 tors. eta vs tors. theta energy: -245.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2652.205559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.205559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.205559 (E_RNA) where: Base-Base interactions energy: -1893.166 where: short stacking energy: -763.560 Base-Backbone interact. energy: 0.906 local terms energy: -759.945947 where: bonds (distance) C4'-P energy: -121.464 bonds (distance) P-C4' energy: -131.940 flat angles C4'-P-C4' energy: -161.165 flat angles P-C4'-P energy: -107.574 tors. eta vs tors. theta energy: -237.804 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: 9 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2550.667538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.667538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.667538 (E_RNA) where: Base-Base interactions energy: -1840.317 where: short stacking energy: -744.771 Base-Backbone interact. energy: -3.280 local terms energy: -707.070254 where: bonds (distance) C4'-P energy: -124.209 bonds (distance) P-C4' energy: -117.194 flat angles C4'-P-C4' energy: -143.333 flat angles P-C4'-P energy: -97.715 tors. eta vs tors. theta energy: -224.619 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: 8 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2548.053195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.053195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.053195 (E_RNA) where: Base-Base interactions energy: -1830.285 where: short stacking energy: -726.149 Base-Backbone interact. energy: 1.791 local terms energy: -719.559233 where: bonds (distance) C4'-P energy: -106.375 bonds (distance) P-C4' energy: -136.941 flat angles C4'-P-C4' energy: -159.266 flat angles P-C4'-P energy: -105.131 tors. eta vs tors. theta energy: -211.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2336.280717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.280717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.280717 (E_RNA) where: Base-Base interactions energy: -1640.190 where: short stacking energy: -684.878 Base-Backbone interact. energy: -1.782 local terms energy: -694.308922 where: bonds (distance) C4'-P energy: -123.690 bonds (distance) P-C4' energy: -129.865 flat angles C4'-P-C4' energy: -152.371 flat angles P-C4'-P energy: -92.049 tors. eta vs tors. theta energy: -196.334 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: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2367.429099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.429099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.429099 (E_RNA) where: Base-Base interactions energy: -1687.499 where: short stacking energy: -678.960 Base-Backbone interact. energy: -1.554 local terms energy: -678.375813 where: bonds (distance) C4'-P energy: -110.248 bonds (distance) P-C4' energy: -123.629 flat angles C4'-P-C4' energy: -141.744 flat angles P-C4'-P energy: -88.229 tors. eta vs tors. theta energy: -214.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -2233.954146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.954146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.954146 (E_RNA) where: Base-Base interactions energy: -1604.108 where: short stacking energy: -636.788 Base-Backbone interact. energy: 8.402 local terms energy: -638.247830 where: bonds (distance) C4'-P energy: -118.903 bonds (distance) P-C4' energy: -116.999 flat angles C4'-P-C4' energy: -123.903 flat angles P-C4'-P energy: -86.781 tors. eta vs tors. theta energy: -191.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -2056.115533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.115533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.115533 (E_RNA) where: Base-Base interactions energy: -1434.327 where: short stacking energy: -602.861 Base-Backbone interact. energy: -2.819 local terms energy: -618.969562 where: bonds (distance) C4'-P energy: -119.428 bonds (distance) P-C4' energy: -110.637 flat angles C4'-P-C4' energy: -133.999 flat angles P-C4'-P energy: -79.656 tors. eta vs tors. theta energy: -175.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1790.372834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.372834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.372834 (E_RNA) where: Base-Base interactions energy: -1223.451 where: short stacking energy: -506.992 Base-Backbone interact. energy: -2.123 local terms energy: -564.799520 where: bonds (distance) C4'-P energy: -113.851 bonds (distance) P-C4' energy: -122.110 flat angles C4'-P-C4' energy: -105.107 flat angles P-C4'-P energy: -80.942 tors. eta vs tors. theta energy: -142.789 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: 490 Temperature: 1.350000 Total energy: -952.020483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.020483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.020483 (E_RNA) where: Base-Base interactions energy: -599.909 where: short stacking energy: -264.766 Base-Backbone interact. energy: 6.383 local terms energy: -358.494166 where: bonds (distance) C4'-P energy: -103.567 bonds (distance) P-C4' energy: -105.981 flat angles C4'-P-C4' energy: -90.587 flat angles P-C4'-P energy: -45.797 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: 1, replica: 3 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2711.492075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.492075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.492075 (E_RNA) where: Base-Base interactions energy: -1940.471 where: short stacking energy: -804.460 Base-Backbone interact. energy: -1.622 local terms energy: -769.398994 where: bonds (distance) C4'-P energy: -121.400 bonds (distance) P-C4' energy: -137.216 flat angles C4'-P-C4' energy: -150.029 flat angles P-C4'-P energy: -111.436 tors. eta vs tors. theta energy: -249.317 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: 10 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2642.944564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.944564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.944564 (E_RNA) where: Base-Base interactions energy: -1897.027 where: short stacking energy: -765.822 Base-Backbone interact. energy: -0.904 local terms energy: -745.013401 where: bonds (distance) C4'-P energy: -121.576 bonds (distance) P-C4' energy: -129.675 flat angles C4'-P-C4' energy: -156.935 flat angles P-C4'-P energy: -103.019 tors. eta vs tors. theta energy: -233.808 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: 3, replica: 9 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2526.137331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.137331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.137331 (E_RNA) where: Base-Base interactions energy: -1806.128 where: short stacking energy: -732.325 Base-Backbone interact. energy: -2.156 local terms energy: -717.852849 where: bonds (distance) C4'-P energy: -125.914 bonds (distance) P-C4' energy: -129.432 flat angles C4'-P-C4' energy: -139.560 flat angles P-C4'-P energy: -99.229 tors. eta vs tors. theta energy: -223.718 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: 4, replica: 8 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2528.398343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.398343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.398343 (E_RNA) where: Base-Base interactions energy: -1781.465 where: short stacking energy: -710.256 Base-Backbone interact. energy: -2.413 local terms energy: -744.519773 where: bonds (distance) C4'-P energy: -129.145 bonds (distance) P-C4' energy: -140.732 flat angles C4'-P-C4' energy: -159.835 flat angles P-C4'-P energy: -96.394 tors. eta vs tors. theta energy: -218.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2381.087159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.087159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.087159 (E_RNA) where: Base-Base interactions energy: -1700.080 where: short stacking energy: -678.977 Base-Backbone interact. energy: -2.087 local terms energy: -678.919543 where: bonds (distance) C4'-P energy: -120.099 bonds (distance) P-C4' energy: -110.336 flat angles C4'-P-C4' energy: -143.620 flat angles P-C4'-P energy: -92.877 tors. eta vs tors. theta energy: -211.987 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: 1 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2377.743893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.743893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.743893 (E_RNA) where: Base-Base interactions energy: -1699.174 where: short stacking energy: -696.702 Base-Backbone interact. energy: -0.847 local terms energy: -677.723089 where: bonds (distance) C4'-P energy: -106.043 bonds (distance) P-C4' energy: -118.733 flat angles C4'-P-C4' energy: -154.428 flat angles P-C4'-P energy: -95.568 tors. eta vs tors. theta energy: -202.951 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: 7 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -2196.194981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.194981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.194981 (E_RNA) where: Base-Base interactions energy: -1548.771 where: short stacking energy: -628.212 Base-Backbone interact. energy: 1.854 local terms energy: -649.277771 where: bonds (distance) C4'-P energy: -97.582 bonds (distance) P-C4' energy: -118.160 flat angles C4'-P-C4' energy: -142.328 flat angles P-C4'-P energy: -88.746 tors. eta vs tors. theta energy: -202.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -2067.229518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.229518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.229518 (E_RNA) where: Base-Base interactions energy: -1481.828 where: short stacking energy: -593.608 Base-Backbone interact. energy: -0.118 local terms energy: -585.282954 where: bonds (distance) C4'-P energy: -120.200 bonds (distance) P-C4' energy: -85.704 flat angles C4'-P-C4' energy: -114.159 flat angles P-C4'-P energy: -93.931 tors. eta vs tors. theta energy: -171.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1791.003439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.003439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.003439 (E_RNA) where: Base-Base interactions energy: -1226.644 where: short stacking energy: -499.868 Base-Backbone interact. energy: -2.461 local terms energy: -561.898948 where: bonds (distance) C4'-P energy: -121.148 bonds (distance) P-C4' energy: -114.371 flat angles C4'-P-C4' energy: -115.862 flat angles P-C4'-P energy: -76.607 tors. eta vs tors. theta energy: -133.910 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: 6 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -928.893984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.893984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.893984 (E_RNA) where: Base-Base interactions energy: -535.487 where: short stacking energy: -252.035 Base-Backbone interact. energy: -1.522 local terms energy: -391.885068 where: bonds (distance) C4'-P energy: -101.217 bonds (distance) P-C4' energy: -111.056 flat angles C4'-P-C4' energy: -100.308 flat angles P-C4'-P energy: -69.074 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: 1, replica: 3 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2736.300379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.300379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.300379 (E_RNA) where: Base-Base interactions energy: -1937.573 where: short stacking energy: -783.798 Base-Backbone interact. energy: -3.182 local terms energy: -795.545321 where: bonds (distance) C4'-P energy: -134.996 bonds (distance) P-C4' energy: -127.598 flat angles C4'-P-C4' energy: -168.270 flat angles P-C4'-P energy: -122.786 tors. eta vs tors. theta energy: -241.896 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: 10 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2625.773131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.773131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.773131 (E_RNA) where: Base-Base interactions energy: -1879.258 where: short stacking energy: -764.596 Base-Backbone interact. energy: -1.030 local terms energy: -745.485145 where: bonds (distance) C4'-P energy: -127.441 bonds (distance) P-C4' energy: -130.029 flat angles C4'-P-C4' energy: -158.758 flat angles P-C4'-P energy: -96.152 tors. eta vs tors. theta energy: -233.105 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: 9 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2556.906759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.906759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.906759 (E_RNA) where: Base-Base interactions energy: -1803.347 where: short stacking energy: -741.192 Base-Backbone interact. energy: 1.287 local terms energy: -754.846609 where: bonds (distance) C4'-P energy: -124.315 bonds (distance) P-C4' energy: -139.518 flat angles C4'-P-C4' energy: -159.834 flat angles P-C4'-P energy: -110.912 tors. eta vs tors. theta energy: -220.269 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: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2518.274968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.274968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.274968 (E_RNA) where: Base-Base interactions energy: -1821.134 where: short stacking energy: -727.700 Base-Backbone interact. energy: 2.003 local terms energy: -699.144348 where: bonds (distance) C4'-P energy: -122.346 bonds (distance) P-C4' energy: -120.618 flat angles C4'-P-C4' energy: -145.213 flat angles P-C4'-P energy: -99.822 tors. eta vs tors. theta energy: -211.145 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: 4 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2393.069067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.069067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.069067 (E_RNA) where: Base-Base interactions energy: -1695.653 where: short stacking energy: -691.770 Base-Backbone interact. energy: -0.101 local terms energy: -697.315231 where: bonds (distance) C4'-P energy: -118.619 bonds (distance) P-C4' energy: -111.174 flat angles C4'-P-C4' energy: -155.376 flat angles P-C4'-P energy: -100.972 tors. eta vs tors. theta energy: -211.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2398.387245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.387245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.387245 (E_RNA) where: Base-Base interactions energy: -1710.865 where: short stacking energy: -694.751 Base-Backbone interact. energy: -0.628 local terms energy: -686.894155 where: bonds (distance) C4'-P energy: -109.473 bonds (distance) P-C4' energy: -124.024 flat angles C4'-P-C4' energy: -139.981 flat angles P-C4'-P energy: -93.998 tors. eta vs tors. theta energy: -219.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -2123.687730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.687730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.687730 (E_RNA) where: Base-Base interactions energy: -1544.357 where: short stacking energy: -632.512 Base-Backbone interact. energy: -1.273 local terms energy: -578.058385 where: bonds (distance) C4'-P energy: -88.780 bonds (distance) P-C4' energy: -102.431 flat angles C4'-P-C4' energy: -127.476 flat angles P-C4'-P energy: -78.609 tors. eta vs tors. theta energy: -180.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -2157.341346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.341346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.341346 (E_RNA) where: Base-Base interactions energy: -1535.480 where: short stacking energy: -623.043 Base-Backbone interact. energy: -3.084 local terms energy: -618.777212 where: bonds (distance) C4'-P energy: -118.575 bonds (distance) P-C4' energy: -115.096 flat angles C4'-P-C4' energy: -102.914 flat angles P-C4'-P energy: -101.287 tors. eta vs tors. theta energy: -180.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1883.344137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.344137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.344137 (E_RNA) where: Base-Base interactions energy: -1363.269 where: short stacking energy: -541.774 Base-Backbone interact. energy: -1.469 local terms energy: -518.606163 where: bonds (distance) C4'-P energy: -100.659 bonds (distance) P-C4' energy: -90.908 flat angles C4'-P-C4' energy: -104.631 flat angles P-C4'-P energy: -74.162 tors. eta vs tors. theta energy: -148.246 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: 6 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -999.150960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.150960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.150960 (E_RNA) where: Base-Base interactions energy: -586.773 where: short stacking energy: -314.334 Base-Backbone interact. energy: -0.729 local terms energy: -411.648755 where: bonds (distance) C4'-P energy: -90.325 bonds (distance) P-C4' energy: -99.934 flat angles C4'-P-C4' energy: -115.574 flat angles P-C4'-P energy: -70.167 tors. eta vs tors. theta energy: -35.648 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)